<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305494</id>
  <title nil="true"/>
  <common-name>2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-n-(3-fluorophenyl)acetamide</common-name>
  <description>2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-n-(3-fluorophenyl)acetamide belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the formula C17H14FN3OS3 and an average molecular weight of 391.50 g/mol.</description>
  <cas>477331-44-5</cas>
  <pubchem-id>1388749</pubchem-id>
  <chemical-formula>C17H14FN3OS3</chemical-formula>
  <weight>391.5</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">2026-08-28T23:04:14Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:04:14Z</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>C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)F</moldb-smiles>
  <moldb-formula>C17H14FN3OS3</moldb-formula>
  <moldb-inchi>InChI=1S/C17H14FN3OS3/c18-13-7-4-8-14(9-13)19-15(22)11-24-17-21-20-16(25-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22)</moldb-inchi>
  <moldb-inchikey>OEGZOGOBQFASDL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">391.0283038</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM301387</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-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-n-(3-fluorophenyl)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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256579</sync-id>
  <structure-inchikey>OEGZOGOBQFASDL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000800000000002000008100000000020000000000000000000000000004000000002004000000000000000001000000000000000000000000000000000000000100000020000010000011000000000000002000000004010000000000000000100000040000000000000000000000010100000001000000200000800000000000000180080000000100000000000000020000000000000000000000000000080000000200000000010000000100002000000000000001000000000000000000000000020000000000000000000220000000000000008000000000000040000000000400800000010000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBkBoAAAAAwMBBkBoAAAA
AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAAC
AhAAIAAAAAIGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBBBAKAAA
AAMCEAAgAAAAAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgcAaAAAAAMCAQZA
KAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgA
AAADAwEJACAAAAABCwABaAwBAmgMAgNoDAMEaAwEBWgMAwYABgcABwgACAlo
DAkKaAwKC2gMCwxoDAsNAA0OAA4PAA8QKAIPESAREiASE2gMExRoDBQVaAwV
FmgMFhdoDBQYAAUAaAwMCGgMFxJoDEIDAAAABgAFBAMCAQUJCAwLCgYTFBUW
FxIXBAAAAAAAAAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:14Z</structure-indexed-at>
</compound>
