2,5-Dimethylthiazole
PubChem CID: 77837
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| Compound Synonyms | 2,5-Dimethylthiazole, 4175-66-0, 2,5-Dimethyl-1,3-thiazole, Thiazole, 2,5-dimethyl-, UNII-4JGJ9O7P4J, 4JGJ9O7P4J, 2,5-dimethyl-thiazole, MFCD00130120, DTXSID3063336, FEMA NO. 4035, 2,5-DIMETHYLTHIAZOLE [FHFI], 2,5-dimethyl thiazole, 2 pound not5-Dimethylthiazole, SCHEMBL119227, DTXCID0039982, CHEBI:184697, BCP22024, AKOS006275451, CS-W002408, AS-15118, FD139478, SY030427, DB-005144, NS00126486, EN300-90249, 2,5-Dimethyl-1,3-thiazole, Thiazole, 2,5-dimethyl-, Q27259755, 806-489-4 |
|---|---|
| Topological Polar Surface Area | 41.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Description | Organoleptic agent. Food flavour/aroma component. Reported in roasted peanuts and roasted sesame seeds together with isomers. 2,5-Dimethylthiazole is found in tea, cereals and cereal products, and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 65.099 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethyl-1,3-thiazole |
| Nih Violation | False |
| Class | Azoles |
| Xlogp | 1.8 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Thiazoles |
| Molecular Formula | C5H7NS |
| Inchi Key | WVUHHPQQQLBMOE-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,5-Dimethyl-1,3-thiazole, 2,5-Dimethyl-thiazole, Thiazole, 2,5-dimethyl- |
| Compound Name | 2,5-Dimethylthiazole |
| Kingdom | Organic compounds |
| Exact Mass | 113.03 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 113.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 113.18 |
| 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/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3 |
| Smiles | CC1=CN=C(S1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 2,5-disubstituted thiazoles |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all