Mrv0541 06091411592D          

  8  8  0  0  0  0            999 V2000
    2.4627  -15.9223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0575  -17.1834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257  -16.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422  -15.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980  -16.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5137  -16.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583  -15.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6207  -16.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  5  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
M  END
> <ID>
CHEBI:78738

> <NAME>
2,4,5-trimethylthiazole

> <DEFINITION>
A 1,3-thiazole that is thiazole in which all three hydrogens are replaced by methyl groups. A Maillard reaction product, it is a flavour component in many cooked foods, including cooked meats and potatoes.

> <STAR>
3

> <SYNONYM>
trimethylthiazole

> <IUPAC_NAME>
2,4,5-trimethyl-1,3-thiazole

> <FORMULA>
C6H9NS

> <MASS>
127.20700

> <MONOISOTOPIC_MASS>
127.04557

> <CHARGE>
0

> <SMILES>
Cc1nc(C)c(C)s1

> <INCHI>
InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3

> <INCHIKEY>
BAMPVSWRQZNDQC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13623-11-5

> <REAXYS_REGISTRY_NUMBER>
107148

> <CHEMIDPLUS>
13623-11-5

> <NIST_CHEMISTRY_WEBBOOK>
13623-11-5

> <PUBMED_CITATION>
10563879; 10749212; 10978280; 11287957; 15530424; 21536621

$$$$