<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334689</id>
  <title nil="true"/>
  <common-name>6-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole</common-name>
  <description>6-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is a chemical compound with the formula C23H19N3O3S. It has an average molecular weight of 417.50 g/mol.</description>
  <cas>91924-65-1</cas>
  <pubchem-id>3045314</pubchem-id>
  <chemical-formula>C23H19N3O3S</chemical-formula>
  <weight>417.5</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">2026-08-30T16:29:10Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:29:10Z</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=NN3C=C(N=C3S2)C4=CC=CC5=CC=CC=C54</moldb-smiles>
  <moldb-formula>C23H19N3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H19N3O3S/c1-27-19-11-15(12-20(28-2)21(19)29-3)22-25-26-13-18(24-23(26)30-22)17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3</moldb-inchi>
  <moldb-inchikey>LEKKKFWUPCOYTH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">417.1147127</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM330582</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>6-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)imidazo[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>CED0285166</sync-id>
  <structure-inchikey>LEKKKFWUPCOYTH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000002400000020000000000002400000002000000000000400008000002080000000000000000000800000000000000000000000000000000000000000000000000010000100000000000000000000000000000000000044000000100000000000000100000000000880000000001001000040000001800080000000000000802000000100000000000000000000000000000800000000040000080000000020000000000000000000000000000080000000040000010000800004000000000000000000000000000200000000000000000000000001000040000800000480020000080020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������(������@(������@h�������@(������@h�������@(������@(�������(�������`�������(�������`������@(������@(������@(������@h�������@(������@(������@(������@(������@(������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@(����������� ��h���h���h���h���h��� �	��
 
���� �h��h���h���h���h���h���h��� ��h���h���h���h���h���h���h���h���h���h���h���h���h���h�B����������������������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:30Z</structure-indexed-at>
</compound>
