<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325207</id>
  <title nil="true"/>
  <common-name>2-(1,3-benzodioxol-5-yl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole</common-name>
  <description>2-(1,3-benzodioxol-5-yl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole is a chemical compound with the formula C21H13N3O2S. It has an average molecular weight of 371.40 g/mol.</description>
  <cas>91918-67-1</cas>
  <pubchem-id>3045340</pubchem-id>
  <chemical-formula>C21H13N3O2S</chemical-formula>
  <weight>371.4</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">2026-08-30T02:53:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:53:48Z</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>C1OC2=C(O1)C=C(C=C2)C3=NN4C=C(N=C4S3)C5=CC=CC6=CC=CC=C65</moldb-smiles>
  <moldb-formula>C21H13N3O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C21H13N3O2S/c1-2-6-15-13(4-1)5-3-7-16(15)17-11-24-21(22-17)27-20(23-24)14-8-9-18-19(10-14)26-12-25-18/h1-11H,12H2</moldb-inchi>
  <moldb-inchikey>HKHHTYXDILKRMK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">371.0728478</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM321100</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-(1,3-benzodioxol-5-yl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole</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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275849</sync-id>
  <structure-inchikey>HKHHTYXDILKRMK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000a400000020000000000002000000000000000000040000008000002080000000000000400000800000000000000000000000000000000000000000000000800010000000000000002000000000000000000000000000000000100000800000020100000000000880000000001011000000000001800080000000000000802000000100000000000000000000000000000800000004040000080000000020000000000000000000000000000000000000040000000000800004010000000000000000000000000200000000000080000000000001010040000000400400020000080000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAIAAAAIABBgBgAAAAAgIIACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:29:09Z</structure-indexed-at>
</compound>
