4-Ethyl-2,5-dimethylthiazole
PubChem CID: 36098
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,5-DIMETHYL-4-ETHYLTHIAZOLE, 4-Ethyl-2,5-dimethylthiazole, 4-Ethyl-2,5-dimethyl-1,3-thiazole, 32272-57-4, Thiazole, 4-ethyl-2,5-dimethyl-, UNII-N9ZS090JBQ, N9ZS090JBQ, 4-Ethyl-2,5-dimethyl-Thiazole, DTXSID10186021, SCHEMBL6760698, 2,5-dimethyl-4-ethyl thiazole, DTXCID20108512, AKOS006239019, 4-Ethyl-2,5-dimethyl-1,3-thiazole #, NS00127219, Q27284751 |
|---|---|
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Flavour component of coffee, baked potato, fried bacon, cooked pork and yeast extract. 4-Ethyl-2,5-dimethylthiazole is found in many foods, some of which are potato, mushrooms, animal foods, and tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethyl-2,5-dimethyl-1,3-thiazole |
| Nih Violation | False |
| Class | Azoles |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Thiazoles |
| Molecular Formula | C7H11NS |
| Inchi Key | ZJGXJKFDKNNBTK-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2,5-Dimethyl-4-ethylthiazole, 4-Ethyl-2,5-dimethyl-1,3-thiazole, 4-Ethyl-2,5-dimethyl-thiazole, 4-Ethyl-2,5-dimethylthiazole, Thiazole, 4-ethyl-2,5-dimethyl- |
| Compound Name | 4-Ethyl-2,5-dimethylthiazole |
| Kingdom | Organic compounds |
| Exact Mass | 141.061 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 141.061 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C7H11NS/c1-4-7-5(2)9-6(3)8-7/h4H2,1-3H3 |
| Smiles | CCC1=C(SC(=N1)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2,4,5-trisubstituted thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all