<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277542</id>
  <title nil="true"/>
  <common-name>N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-n-methyloxamide</common-name>
  <description>N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-n-methyloxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C10H10N4O4S2 and an average molecular weight of 314.30 g/mol.</description>
  <cas>108679-63-6</cas>
  <pubchem-id>3065731</pubchem-id>
  <chemical-formula>C10H10N4O4S2</chemical-formula>
  <weight>314.3</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">2026-08-26T17:20:58Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:20:58Z</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>CNC(=O)C(=O)NS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N</moldb-smiles>
  <moldb-formula>C10H10N4O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10N4O4S2/c1-12-8(15)9(16)14-20(17,18)5-2-3-6-7(4-5)19-10(11)13-6/h2-4H,1H3,(H2,11,13)(H,12,15)(H,14,16)</moldb-inchi>
  <moldb-inchikey>XVLUVLSHEKXHLJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">314.0143472</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>CHEM273435</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>N'-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-n-methyloxamide</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229683</sync-id>
  <structure-inchikey>XVLUVLSHEKXHLJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000002000000000000000000000000001001001000420000002000000000040000000000000000800200000000000004000000000000000000000020000010000000001000000000000000002000010000001000000000100440000000000000000040000000000000000000000040000000004000000000000080001000000000200000000000028000000004000000000000000000080000000000020000004000080000000000000000000000000000000000000000000000040000000000000000000200002000000000000000000001000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������h��������(�������(�������(�������(�������h�������� ������(�������(������@(������@h�������@(������@(������@h�������@h�������@(������@(������@(�������h������������ ��(��� ��(��� ��������	���
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  <structure-indexed-at type="dateTime">2026-09-19T04:53:15Z</structure-indexed-at>
</compound>
