4,5-Dimethylthiazole
PubChem CID: 62510
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| Compound Synonyms | 4,5-DIMETHYLTHIAZOLE, 3581-91-7, 4,5-Dimethyl-1,3-thiazole, Thiazole, 4,5-dimethyl-, 4,5-dimethyl thiazole, 4,5-dimethyl-thiazole, FEMA No. 3274, EINECS 222-703-3, MFCD00005336, BRN 0105694, U3RP5I088G, DTXSID40189348, 4-27-00-00986 (Beilstein Handbook Reference), 4,5-DIMETHYL THIAZOLE [FHFI], UNII-U3RP5I088G, 4,5-Dimethylthiazole, 97%, SCHEMBL104484, FEMA 3274, 4,5-Dimethyl-1,3-thiazole #, DTXCID70111839, CHEBI:193947, 4,5-Dimethylthiazole, >=97%, FG, AKOS005207225, CS-W011256, (trichloromethyl)-Phosphonous dichloride, BP-10468, CS-17342, D2142, NS00022095, EN300-50400, A822988, Q27290649, Z600503292, InChI=1/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H, 222-703-3 |
|---|---|
| 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 | Ccscnc5C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Azoles |
| Description | Flavouring agent |
| Scaffold Graph Node Level | C1CSCN1 |
| Classyfire Subclass | Thiazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 65.099 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dimethyl-1,3-thiazole |
| Class | Azoles |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Thiazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H7NS |
| Scaffold Graph Node Bond Level | c1cscn1 |
| Inchi Key | UWSONZCNXUSTKW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | (Trichloromethyl)-onous dichloride, 4,5-Dimethyl-1,3-thiazole, 4,5-Dimethyl-thiazole, FEMA 3274, Phosphonous dichloride, (trichloromethyl)-, Thiazole, 4,5-dimethyl-, (Trichloromethyl)-phosphonous dichloride, thiazole,4,5,-dimethyl |
| Esol Class | Soluble |
| Functional Groups | cnc, csc |
| Compound Name | 4,5-Dimethylthiazole |
| Kingdom | Organic compounds |
| Exact Mass | 113.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 113.18 |
| 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/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3 |
| Smiles | CC1=C(SC=N1)C |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | 4,5-disubstituted thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Allium Wallichii (Plant) Rel Props:Reference:https://doi.org/10.1016/s0167-4501(06)80207-4