55271531
  CDK     0425242201

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.2735   -0.6799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6860    0.5895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3385    0.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1232   -0.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7255   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7362    0.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9409   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6061   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610    0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5208    0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499   -1.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  7  2  0  0  0  0 
  2  9  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 11  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
M  END
> <ID>
CHEBI:230729

> <NAME>
5-ethyl-4-methyl-2-pentylthiazole

> <STAR>
2

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

> <FORMULA>
C11H19NS

> <MASS>
197.340

> <MONOISOTOPIC_MASS>
197.12382

> <CHARGE>
0

> <SMILES>
S1C(=NC(=C1CC)C)CCCCC

> <INCHI>
InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3

> <INCHIKEY>
YHXYVNQEOGPEKA-UHFFFAOYSA-N

$$$$