<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365225</id>
  <title nil="true"/>
  <common-name>N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine</common-name>
  <description>N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine is a chemical compound with the formula C9H14N2S. It has an average molecular weight of 182.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3059957</pubchem-id>
  <chemical-formula>C9H14N2S</chemical-formula>
  <weight>182.29</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">2026-09-01T15:43:12Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:43:12Z</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>CNCC1CCC2=C(C1)N=CS2</moldb-smiles>
  <moldb-formula>C9H14N2S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2S/c1-10-5-7-2-3-9-8(4-7)11-6-12-9/h6-7,10H,2-5H2,1H3</moldb-inchi>
  <moldb-inchikey>QBOJNGZZIUUNRV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">182.0877696</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.5</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>CHEM361118</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-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanamine</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315182</sync-id>
  <structure-inchikey>QBOJNGZZIUUNRV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4002030000000800010000020000000001000000000000000010000000000000000000000000200000000002000000000000000000000000000000000000000000000000000000000000000000000000010100000000000000000000000000000000000000040000000000000000000020004000000000000000000100000000040000000000000000000000080000000000080000000000000000000000000000004000000000000080000000000020000080000000000000000000000000001000000000800000000000000000000000000000000200000000000000000000000100000000040000000000000000008000000000010000000200000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`�������`�������`�������`������@(������@(�������`������@(������@h�������@(��������������������������h�����	h�	
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����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
