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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:16 UTC
Update Date2025-03-25 01:00:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240707
Frequency0.5
Structure
Chemical FormulaC8H9Cl3N4O2S
Molecular Mass329.9512
SMILESCC(=O)OC(c1csc(N=C(N)N)n1)C(Cl)(Cl)Cl
InChI KeyBNVCVDHVZVKGSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,4-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acid esters
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • guanidine
  • alkyl chloride
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkyl halide
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2,4-disubstituted 1,3-thiazole
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound