Mrv0541 06091411592D          

  5  5  0  0  0  0            999 V2000
   10.1180  -16.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3730  -16.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7855  -17.3458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1980  -16.0762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4529  -16.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  5  1  0  0  0  0
  1  2  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <ID>
CHEBI:43732

> <NAME>
thiazole

> <STAR>
3

> <SECONDARY_ID>
CHEBI:43728; CHEBI:30637

> <SYNONYM>
tz; THIAZOLE; thiazole

> <IUPAC_NAME>
1,3-thiazole

> <FORMULA>
C3H3NS

> <MASS>
85.12800

> <MONOISOTOPIC_MASS>
84.99862

> <CHARGE>
0

> <SMILES>
c1cscn1

> <INCHI>
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H

> <INCHIKEY>
FZWLAAWBMGSTSO-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
103852

> <CAS_REGISTRY_NUMBER>
288-47-1

> <GMELIN_REGISTRY_NUMBER>
2172

> <CHEMIDPLUS>
288-47-1

> <NIST_CHEMISTRY_WEBBOOK>
288-47-1

> <PDBECHEM_ACCESSION>
LOM

$$$$