283163 <common-name>2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide</common-name> <description>2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C12H12ClN2O3S+ and an average molecular weight of 299.75 g/mol.</description> <cas>33353-01-4</cas> <pubchem-id>214528</pubchem-id> <chemical-formula>C12H12ClN2O3S+</chemical-formula> <weight>299.75</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">2026-08-27T18:43:58Z</created-at> <updated-at type="dateTime">2026-08-27T18:43:58Z</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(=O)C[N+]1(C2=C(C=CC(=C2)Cl)SC1=O)CC(=O)N</moldb-smiles> <moldb-formula>C12H12ClN2O3S+</moldb-formula> <moldb-inchi>InChI=1S/C12H11ClN2O3S/c1-7(16)5-15(6-11(14)17)9-4-8(13)2-3-10(9)19-12(15)18/h2-4H,5-6H2,1H3,(H-,14,17)/p+1</moldb-inchi> <moldb-inchikey>FHHKPDQQBBEQGR-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">299.0257161</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM279056</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-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235081</sync-id> <structure-inchikey>FHHKPDQQBBEQGR-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>80000000000000000000800000000000000800000400000000000080000000000400000008000020000000000000000000000040000000000000000000000000001000000000400000000040000000200020000010000000000000000080000000000000010080000000000000100000000000000000040000000000000000400000000040000004000000000400000000001000000000000000000000004000000000000000000000000000080000000004000000000010000000000000200010020000000000010000000000000000000010000000000000000200000000000000000000000000000040000020000400000000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBgBgAAAAAgIHICIAAAABBAZAKAAAAAMEBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAREAIAAAAAEQACAAAAAC BgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAgcAaAAA AAMBAgsAAQABAggCAQMAAwQABAUABQZoDAYHaAwHCGgMCAloDAkKaAwJCwAG DAAMDQANDggCBA8ADxAAEBEoAhASIA0EAAoFaAxCAgAAAAUEBQYMDQYHCAkK BQYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:57:47Z</structure-indexed-at> </compound>