326612 <common-name>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-[4-(dimethylamino)phenyl]methanesulfonic acid</common-name> <description>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-[4-(dimethylamino)phenyl]methanesulfonic acid is a compound with the formula C21H22ClN3O5S2. It has an average molecular weight of 496.00 g/mol.</description> <cas>71013-61-1</cas> <pubchem-id>3054250</pubchem-id> <chemical-formula>C21H22ClN3O5S2</chemical-formula> <weight>496</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">2026-08-30T04:59:42Z</created-at> <updated-at type="dateTime">2026-08-30T04:59:42Z</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>CN(C)C1=CC=C(C=C1)C(NC2=NC(=C(S2)CC(=O)OC)C3=CC=C(C=C3)Cl)S(=O)(=O)O</moldb-smiles> <moldb-formula>C21H22ClN3O5S2</moldb-formula> <moldb-inchi>InChI=1S/C21H22ClN3O5S2/c1-25(2)16-10-6-14(7-11-16)20(32(27,28)29)24-21-23-19(13-4-8-15(22)9-5-13)17(31-21)12-18(26)30-3/h4-11,20H,12H2,1-3H3,(H,23,24)(H,27,28,29)</moldb-inchi> <moldb-inchikey>AGYFMFMVMYGBSL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">495.0689409</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</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>CHEM322505</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>[[4-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-[4-(dimethylamino)phenyl]methanesulfonic acid</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>Thiazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277230</sync-id> <structure-inchikey>AGYFMFMVMYGBSL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000022010000010000080000000000000000400000000140000020000002040000020000000000000010000000000000000000000400000008000000000000020000010402100000000004000000000000000010080000040000000004000800000000000000080000000000000000000000040020400008000000020000080904000000000000000000020000000000000000000000000000400182000000000000000000000080000000000000000000000000000020000000000000000000010000800000100000200008000000000000000000005000040000000000400000000000040000000400000000000</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�B���������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:13Z</structure-indexed-at> </compound>