522877
  CDK     0701212310

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.1020   -0.6799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145    0.5895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6895    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255   -1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2046    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  2  0  0  0  0 
  2  6  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  7  1  0  0  0  0 
  5  6  2  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:176698

> <NAME>
2-Ethyl-4,5-dimethylthiazole

> <STAR>
2

> <IUPAC_NAME>
2-ethyl-4,5-dimethyl-1,3-thiazole

> <FORMULA>
C7H11NS

> <MASS>
141.230

> <MONOISOTOPIC_MASS>
141.06122

> <CHARGE>
0

> <SMILES>
S1C(=NC(=C1C)C)CC

> <INCHI>
InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3

> <INCHIKEY>
BVOKJOZBJOWZNJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
873-64-3

> <CHEMIDPLUS>
873-64-3

$$$$