308574 <common-name>2-(4-methylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)-1,3-thiazol-4-one</common-name> <description>2-(4-methylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)-1,3-thiazol-4-one belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the chemical formula C17H23N3OS and an average molecular weight of 317.50 g/mol.</description> <cas>50871-39-1</cas> <pubchem-id>3039611</pubchem-id> <chemical-formula>C17H23N3OS</chemical-formula> <weight>317.5</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">2026-08-29T02:58:50Z</created-at> <updated-at type="dateTime">2026-08-29T02:58:50Z</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>CC(C)C1=CC=C(C=C1)C2C(=O)N=C(S2)N3CCN(CC3)C</moldb-smiles> <moldb-formula>C17H23N3OS</moldb-formula> <moldb-inchi>InChI=1S/C17H23N3OS/c1-12(2)13-4-6-14(7-5-13)15-16(21)18-17(22-15)20-10-8-19(3)9-11-20/h4-7,12,15H,8-11H2,1-3H3</moldb-inchi> <moldb-inchikey>UBALWZHAGSEAET-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">317.1561835</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM304467</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-(4-methylpiperazin-1-yl)-5-(4-propan-2-ylphenyl)-1,3-thiazol-4-one</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>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0259596</sync-id> <structure-inchikey>UBALWZHAGSEAET-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000000000000000000000000000000020000010000000000000000009000000020000000000000002000000100000000000000000000000000000800000000400000000200000000000020000010000000000000000000000002000000000000000000000000000000000000030100000000002000000000100000000040000000000000000000004000000000000000000000080000000001000000000000000000000400080000000010000010000000008000000800000000000000000000000000000000000000000000000000100000000200000000000018000000000004000040000000000800000000000000000000800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAD AQYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQYAYAAAAAMBBgAoAAAAAwQIACgAAAADAgcAKAAA AAMDBgAoAAAAAwQQACAAAAACBwAoAAAAAwMGAGAAAAACAgYAYAAAAAICBwAg AAAAAwYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwsAAQABAgABAwADBGgMBAVo DAUGaAwGB2gMBwhoDAYJAAkKAAoLKAIKDCAMDSgCDQ4ADQ8gDxAAEBEAERIA EhMAExQAEhUACANoDA4JABQPAEIDAAAABgMIBwYFBAUKCQ4NDAYQERITFA8X BAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:29Z</structure-indexed-at> </compound>