<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297066</id>
  <title nil="true"/>
  <common-name>N-(ethylcarbamoyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide</common-name>
  <description>N-(ethylcarbamoyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide belongs to the imidazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the chemical formula C15H18N4O2S and an average molecular weight of 318.40 g/mol.</description>
  <cas>60176-49-0</cas>
  <pubchem-id>3042660</pubchem-id>
  <chemical-formula>C15H18N4O2S</chemical-formula>
  <weight>318.4</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">2026-08-28T13:18:03Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:18:03Z</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>CCNC(=O)NC(=O)CSC1=NC=CN1C2=CC=CC=C2C</moldb-smiles>
  <moldb-formula>C15H18N4O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18N4O2S/c1-3-16-14(21)18-13(20)10-22-15-17-8-9-19(15)12-7-5-4-6-11(12)2/h4-9H,3,10H2,1-2H3,(H2,16,18,20,21)</moldb-inchi>
  <moldb-inchikey>KLGWFISEPUGNDJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">318.115047</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM292959</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-(ethylcarbamoyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide</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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Imidazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0248454</sync-id>
  <structure-inchikey>KLGWFISEPUGNDJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800000000800000000000000000004000000000000000000000002000000000004000000002090000000000000000000000000000000000000000000080000008100000000000020004000000000040200000010000000808000010000000000000040000000000000000100000000000000000000000000000040000000800c00010000000080000000000100000000000000000000000100000000000000000000080100000000000000080000000000002000000000000000000000000000008000010000000000000000002200000200000000000000000000000000002040000000000440000000010000000401000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������h��������(�������(�������h��������(�������(�������`������� �����@(������@(������@h�������@h�������@(������@(������@h�������@h�������@h�������@h�������@(�������`�������������� ��(��� �� ��(�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:08:06Z</structure-indexed-at>
</compound>
