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Record Information
HMDB Statusdetected
Creation Date2024-02-21 06:31:29 UTC
Update Date2025-03-24 17:51:21 UTC
HMDB IDHMDB0246829
Metabolite Identification
DeepMet IDDMID00990179
Name5-Nitrothiazole
Frequency1.4
Structure
Chemical FormulaC3H2N2O2S
Molecular Mass129.9837
SMILESO=[N+]([O-])c1cncs1
InChI KeyVVVCJCRUFSIVHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent nitrothiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • nitroaromatic compounds
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • nitroaromatic compound
  • aromatic heteromonocyclic compound
  • azacycle
  • nitrothiazole
  • heteroaromatic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite