5-Methylthiazole
PubChem CID: 137980
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| Compound Synonyms | 5-Methylthiazole, 3581-89-3, 5-Methyl-1,3-thiazole, Thiazole, 5-methyl-, 5-methyl-thiazole, MFCD00005335, DTXSID80189347, 5-methyl thiazole, 5-Methylthiazole, 97%, 5-Methyl-1,3-thiazole #, SCHEMBL5007924, DTXCID10111838, AKOS015897351, CS-W007489, BP-12694, DB-007089, M2234, EN300-82995, InChI=1/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H, 626-260-0 |
|---|---|
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Description | Food flavouring ingredient. 5-Methylthiazole is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.8 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-1,3-thiazole |
| Nih Violation | False |
| Class | Azoles |
| Xlogp | 1.4 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Thiazoles |
| Molecular Formula | C4H5NS |
| Inchi Key | RLYUNPNLXMSXAX-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 5-Methyl-1,3-thiazole, 5-Methyl-thiazole, Thiazole, 5-methyl- |
| Substituent Name | Heteroaromatic compound, Thiazole, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteromonocyclic compound |
| Compound Name | 5-Methylthiazole |
| Kingdom | Organic compounds |
| Exact Mass | 99.0143 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 99.0143 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 99.16 |
| 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/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3 |
| Smiles | CC1=CN=CS1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all