bmse000355 4-methyl-5-thiazoleethanol at BMRB

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4-methyl-5-thiazoleethanol

4-Methyl-5-thiazoleethanol; 2-(4-Methylthiazol-5-yl)ethanol; 5-(beta-Hydroxyethyl)-4-methylthiazole; Thiamine thiazole; 4-Methyl-5-thiazolethanol; Hemineurine; 4-Methyl-5-(2'-hydroxyethyl)-thiazole; 4-METHYL-5-THIAZOLEETHANOL; 4-Methyl-5-hydroxethylthiazole; 5-(2-Hydroxyethyl)-4-methylthiazole; 2-(4-methyl-1,3-thiazol-5-yl)ethanol

Molecular Formula: C6 H9 N O S
Natural Isotopic Abundance Mass: 143.20676
Mono-Isotopic Molecular Masses: C12N14: 143.0404846062; C13N14: 149.060613633; C12N15: 144.0375194994; C13N15: 150.0576485262

4-methyl-5-thiazoleethanol

InCHi String:
InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

canonical and isomeric SMILES:
CC1=C(SC=N1)CCO

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(4-methyl-1,3-thiazol-5-yl)ethanol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-(4-methylthiazol-5-yl)ethanol

PUBCHEM iupac CAS NAME
2-(4-methyl-5-thiazolyl)ethanol

PubChem Substance (SID):   85165153   955210   6954
PubChem Compound (CID):   1136
KEGG: Compound ID   C04294
CAS Registry IDs:   8042-97-5   137-00-8
PDB Chemical Component   TZE
Miscellaneous Databases and IDs:   Sigma-Aldrich 54405_FLUKA   ChEBI CHEBI:17957   BioCyc THZ   ChemIDplus 000137008   ChemSpider 13871915   EINECS 205-272-6   ZINC ZINC00160790   ChemDB 4730932   FEMA No 3204   Thomson Pharma 00429239   NIST Chemistry WebBook 1353310305

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.