BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-methyl-5-thiazoleethanol

Graphical representations:

4-methyl-5-thiazoleethanol image

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

InCHi String:

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.