<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">288300</id>
  <title nil="true"/>
  <common-name>2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</common-name>
  <description>2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C13H17N5O4S. The compound has an average molecular weight of 339.37 g/mol.</description>
  <cas>573704-97-9</cas>
  <pubchem-id>2034358</pubchem-id>
  <chemical-formula>C13H17N5O4S</chemical-formula>
  <weight>339.37</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T01:10:38Z</created-at>
  <updated-at type="dateTime">2026-08-28T01:10:38Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)N</moldb-smiles>
  <moldb-formula>C13H17N5O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C13H17N5O4S/c1-20-8-4-7(5-9(21-2)11(8)22-3)12-16-17-13(18(12)15)23-6-10(14)19/h4-5H,6,15H2,1-3H3,(H2,14,19)</moldb-inchi>
  <moldb-inchikey>XARHXQGJAXEWSS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">339.1001252</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM284193</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0240058</sync-id>
  <structure-inchikey>XARHXQGJAXEWSS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000800000000000000000000004000404000002000000000000404100000002080000000000000000000000000000000000000000000000000000000000000000020000000000100000000000010000000000000010000000044000000100000000000000100000000000000000000000008000050000000000000000000000000881000000000000000000000000000000000000000100000000000080000000000000000400000000000000800000080000000000000010000000000000000000000000000002000000000000000000000000000000000000040000820000400000000010061000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(������@h�������@(������@(�������(�������`�������(�������`������@(������@(������@(������@(������@(�������h�������� ������`�������(�������(�������h������������ ��h���h���h���h���h��� �	��
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:01:25Z</structure-indexed-at>
</compound>
