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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:50 UTC
Update Date2025-03-25 00:54:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205424
Frequency0.5
Structure
Chemical FormulaC7H10N4O2S2
Molecular Mass246.0245
SMILESNC(N)=Nc1ncc(CSCC(=O)O)s1
InChI KeyBYISKWVMDSDPRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,5-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • guanidines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfenyl compounds
    • Substituents
  • 2,5-disubstituted 1,3-thiazole
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound