4-Methyl-5-vinylthiazole
PubChem CID: 15654
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| Compound Synonyms | 4-METHYL-5-VINYLTHIAZOLE, 1759-28-0, Thiazole, 5-ethenyl-4-methyl-, vinyl sulfurol, 4-Methyl-5-vinyl thiazole, 5-Ethenyl-4-methylthiazole, 5-ethenyl-4-methyl-1,3-thiazole, Thiazole, 4-methyl-5-vinyl-, FEMA No. 3313, BRN 0107867, EINECS 217-160-4, 5-Vinyl-4-methylthiazole, 1G77935P78, DTXSID5061952, 4-27-00-01015 (Beilstein Handbook Reference), 4-METHYL-5-VINYLTHIAZOLE [FHFI], Vinylsulfurol, 4-methyl-5-vinyl-thiazole, 4-Methyl-5-vinyl-1,3-thiazole, UNII-1G77935P78, MFCD00005337, 5-Ethenyl-4-methyl-Thiazole, SCHEMBL347422, DTXCID9035591, FEMA 3313, 4-Methyl-5-vinylthiazole, 99%, 4-Methyl-5-vinyl-1,3-thiazole #, AKOS015842449, CS-W011169, FM35752, 4-Methyl-5-vinylthiazole, >=97%, FG, AC-19940, DS-11310, DB-044241, M1029, NS00021754, D70107, EN300-1662326, Q27252385, InChI=1/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H, 217-160-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | Ccncsc5C=C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Azoles |
| Description | Meat flavouring ingredient. Found in grape wine distillate, garlic, cooked pork, cocoa, roasted filbert and yellow passion fruit |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Thiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 92.5 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-4-methyl-1,3-thiazole |
| Prediction Hob | 1.0 |
| Class | Azoles |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Thiazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H7NS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QUAMMXIRDIIGDJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Synonyms | 4-Methyl-5-vinyl thiazole, 4-Methyl-5-vinyl-1,3-thiazole, 4-Methyl-5-vinyl-thiazole, 5-Ethenyl-4-methyl-thiazole, 5-Ethenyl-4-methylthiazole, 5-Vinyl-4-methylthiazole, FEMA 3313, Thiazole, 4-methyl-5-vinyl-, Thiazole, 5-ethenyl-4-methyl-, 4-Methyl-5-vinylthiazole, 4-methyl-5-vinylthiazole |
| Esol Class | Soluble |
| Functional Groups | cC=C, cnc, csc |
| Compound Name | 4-Methyl-5-vinylthiazole |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.19 |
| 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 |
| Esol | -2.3735152 |
| Inchi | InChI=1S/C6H7NS/c1-3-6-5(2)7-4-8-6/h3-4H,1H2,2H3 |
| Smiles | CC1=C(SC=N1)C=C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 4,5-disubstituted thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Annona Muricata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730080103