Mrv0541 01221411592D          

  9  9  0  0  0  0            999 V2000
    1.9078   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1627    0.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5752   -0.6668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877    0.6027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6778    1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232   -0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101    0.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2745   -0.1398    0.0000 O   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
  2  6  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:17957

> <NAME>
5-(2-hydroxyethyl)-4-methylthiazole

> <DEFINITION>
A 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46320; CHEBI:12086; CHEBI:2011; CHEBI:12021; CHEBI:20522; CHEBI:12022

> <SYNONYM>
Hemineurine; 5-(2-hydroxyethyl)-4-methylthiazole; 5-(2-Hydroxyethyl)-4-methylthiazole; 4-Methyl-5-thiazolethanol; 4-Methyl-5-(2-hydroxyethyl)-thiazole; 4-Methyl-5-(2'-hydroxyethyl)-thiazole; 4-methyl-5-(2'-hydroxyethyl)-thiazole

> <IUPAC_NAME>
2-(4-methyl-1,3-thiazol-5-yl)ethanol

> <FORMULA>
C6H9NOS

> <MASS>
143.20700

> <MONOISOTOPIC_MASS>
143.04049

> <CHARGE>
0

> <SMILES>
Cc1ncsc1CCO

> <INCHI>
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

> <INCHIKEY>
BKAWJIRCKVUVED-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
137-00-8

> <REAXYS_REGISTRY_NUMBER>
114249

> <CHEMIDPLUS>
137-00-8

> <KEGG_COMPOUND_ACCESSION>
C04294

> <KNAPSACK_ACCESSION>
C00007610

> <METACYC_ACCESSION>
THZ

> <PDBECHEM_ACCESSION>
TZE

> <PUBMED_CITATION>
543872

$$$$