4-Methyl-5-thiazoleethanol
PubChem CID: 1136
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| Compound Synonyms | 4-METHYL-5-THIAZOLEETHANOL, 137-00-8, sulfurol, 5-(2-Hydroxyethyl)-4-methylthiazole, Hemineurine, 2-(4-Methylthiazol-5-yl)ethanol, 5-Thiazoleethanol, 4-methyl-, 2-(4-Methyl-1,3-thiazol-5-yl)ethanol, 4-Methyl-5-thiazolethanol, 4-Methyl-5-(2-hydroxyethyl)thiazole, 4-Methyl-5-thiazolylethanol, Thiamine thiozole, 2-(4-Methylthiazole-5-yl)ethanol, 4-Methyl-5-hydroxethylthiazole, 4-Methyl-5-hydroxyethylthiazole, Thiamine thiazole, MHT (VAN), 2-(4-Methyl-1,3-Thiazol-5-Yl)Ethan-1-Ol, 5-(Hydroxyethyl)-4-methylthiazole, 4-methyl-5-thiazole ethanol, 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, FEMA No. 3204, 5-(beta-Hydroxyethyl)-4-methylthiazole, CHEBI:17957, 2-(4-methyl-5-thiazolyl)ethanol, NSC 23262, 4-methyl-5-(2-hydroxyethyl)-thiazole, 4-methyl-5-(beta-hydroxyethyl)thiazole, 3XYV4I47I8, 4-Methyl-5-(2'-hydroxyethyl)-thiazole, DTXSID3044382, MHT, 4-Methyl-5-(.beta.-hydroxyethyl)thiazole, EINECS 205-272-6, MFCD00005339, NSC 41831, NSC-23262, NSC-41831, AI3-23391, HET, CHEMBL1236482, DTXCID1024382, Thiazole, 5-(2-hydroxyethyl)-4-methyl, 4-METHYL-5-THIAZOLEETHANOL [MI], 4-METHYL-5-THIAZOLE ETHANOL [FCC], 4-METHYL-5-THIAZOLEETHANOL [FHFI], 5-(.BETA.-HYDROXYETHYL)-4-METHYLTHIAZOLE, TZE, 5-(2-Hydroxyethyl)-4-methylthiazole, MHT, 5-Hydroxyethyl-4-methylthiazole, UNII-3XYV4I47I8, 4-METHYLTHIAZOL-5YLETHANOL, Clomethiazole Impurity C, bmse000355, 4-METHYL-5-(beta-HYDROXYETHYL)-THIAZOLE, 4-methyl-5-thiazole-ethanol, SCHEMBL259480, FEMA 3204, 4-Methyl-5-thiazoleethanol, 9CI, 4-Methyl-5-thiazoleethanol, 98%, 2-(4-methylthiazol-5-yl) ethanol, 2-(4-methylthiazol-5-yl)-ethanol, 4-Methyl-5-thiazoleethanol (Bean), HY-W015695R, NSC23262, NSC41831, STR05522, 4-Methyl-5-thiazoleethanol (Milky), Thiazole, 4-methyl-5-hydroxyethyl-, Tox21_302187, 4-Methyl-5-thiazoleethanol (5-(2-Hydroxyethyl)-4-methylthiazole), BDBM50016817, AKOS000119411, 4-Methyl-5-thiazoleethanol (Standard), 4-Metyl-5-(beta-hydroxyethyl)thiazole, 5-(2-hydroxyethyl)-4-methyl-thiazole, AB00407, AC-7852, CS-W016411, DB02969, FH54860, HY-W015695, PS-4466, 4-METHYL-5-HYDROXYETHYL THIAZOLE, NCGC00257545-01, CAS-137-00-8, PD007492, 4-Methyl-5-thiazoleethanol, >=98%, FG, DB-003514, 2-(4-Methyl-1,3-thiazol-5-yl)ethanol #, 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole, H0527, NS00012994, EN300-20333, 4-Methyl-5-thiazoleethanol, analytical standard, C04294, D77790, 5-(2-Hydroxyethyl)-4-methylthiazole (sulfurol), Q27093940, Z104477768, 48114B6F-A59B-4E5B-82B1-38B17D2A0B5A, InChI=1/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H, 4-methyl-5-thiazoleethanol, sulfurol, 4-methyl-5-(2'-hydroxyethyl)-thiazole, 4-methyl-5-hydroxyethylthiazole, 5-(2-hydroxyethyl)-4-methylthiazole, 4-methyl-5-beta-hydroxyethyl thiazole, 860175-16-2, Sulfurol, 4-Methyl-5-(2-hydroxyethyl)-thiazole, 4-Methyl-5-hydroxyethyl-thiazole, 5-(2-Hydroxyethyl)-4-methylthiazole, 4-Methyl-5-beta-hydroxyethyl thiazole |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 61.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Thiazole alkaloids |
| Deep Smiles | Ccncsc5CCO |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Azoles |
| Description | 5-(2-hydroxyethyl)-4-methylthiazole, also known as 4-methyl-5-thiazolethanol or 4-methyl-5-(&beta, -hydroxyethyl)thiazole, is a member of the class of compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 5-(2-hydroxyethyl)-4-methylthiazole is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 5-(2-hydroxyethyl)-4-methylthiazole is a cooked beef juice, fatty, and sulfur tasting compound and can be found in a number of food items such as nuts, cereals and cereal products, alcoholic beverages, and mushrooms, which makes 5-(2-hydroxyethyl)-4-methylthiazole a potential biomarker for the consumption of these food products. 5-(2-hydroxyethyl)-4-methylthiazole can be found primarily in feces. 5-(2-hydroxyethyl)-4-methylthiazole exists in all living species, ranging from bacteria to humans. |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Thiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O42275 |
| Iupac Name | 2-(4-methyl-1,3-thiazol-5-yl)ethanol |
| Class | Azoles |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Thiazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H9NOS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | BKAWJIRCKVUVED-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 4-Methyl-5-(2'-hydroxyethyl)-thiazole, 4-Methyl-5-(2-hydroxyethyl)-thiazole, 4-Methyl-5-thiazolethanol, Hemineurine, 4-Methyl-5-(2-hydroxyethyl)thiazole, HET, 2-(4-Methyl-1,3-thiazol-5-yl)ethanol, 2-(4-Methyl-5-thiazolyl)ethanol, 2-(4-METHYL-thiazol-5-yl)-ethanol, 2-(4-Methylthiazol-5-yl)ethanol, 2-(4-Methylthiazole-5-yl)ethanol, 4-METHYL-5-(beta-hydroxyethyl)-thiazole, 4-Methyl-5-(beta-hydroxyethyl)thiazole, 4-Methyl-5-hydroxethylthiazole, 4-Methyl-5-hydroxyethylthiazole, 4-Methyl-5-thiazoleethanol, 4-Methyl-5-thiazoleethanol, 9ci, 4-Methyl-5-thiazolylethanol, 4-Metyl-5-(beta-hydroxyethyl)thiazole, 5-(2-Hydroxyethyl)-4-methylthiazole (sulfurol), 5-(beta-Hydroxyethyl)-4-methylthiazole, 5-(Hydroxyethyl)-4-methylthiazole, FEMA 3204, MHT, Sulfurol, Thiamine breakdown product 4-methyl-5-thiazoleethanol- from, Thiamine thiazole, Thiazole, 5-(2-hydroxyethyl)-4-methyl, TZE, Thiamine thiazole hydrochloride, Thiamine thiazole phosphate, 4-Methyl-5-(2-thiazoleethanol), 4-Methyl-5-(β-hydroxyethyl)thiazole, 5-(Β-hydroxyethyl)-4-methylthiazole, THZ, 5-(2-Hydroxyethyl)-4-methylthiazole, sulfurol |
| Esol Class | Very soluble |
| Functional Groups | CO, cnc, csc |
| Compound Name | 4-Methyl-5-thiazoleethanol |
| Kingdom | Organic compounds |
| Exact Mass | 143.04 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 143.04 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 143.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 |
| Smiles | CC1=C(SC=N1)CCO |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 4,5-disubstituted thiazoles |
| Np Classifier Superclass | Serine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Fragaria Vesca (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3095