326493 <common-name>3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one</common-name> <description>3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one is a chemical compound with the formula C21H21N5O2S2. It has an average molecular weight of 439.60 g/mol.</description> <cas>135575-54-1</cas> <pubchem-id>64000</pubchem-id> <chemical-formula>C21H21N5O2S2</chemical-formula> <weight>439.6</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">2026-08-30T04:49:07Z</created-at> <updated-at type="dateTime">2026-08-30T04:49:07Z</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>CC1=CC=CC=C1NCC(CSC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C)O</moldb-smiles> <moldb-formula>C21H21N5O2S2</moldb-formula> <moldb-inchi>InChI=1S/C21H21N5O2S2/c1-13-7-3-5-9-17(13)22-11-15(27)12-29-21-25-24-20(30-21)26-14(2)23-18-10-6-4-8-16(18)19(26)28/h3-10,15,22,27H,11-12H2,1-2H3</moldb-inchi> <moldb-inchikey>AELQPQQZVXTBPZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">439.1136673</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM322386</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>3-[5-[2-hydroxy-3-(2-methylanilino)propyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0277112</sync-id> <structure-inchikey>AELQPQQZVXTBPZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000100800000000002000000000000000100000000000000060000020000004000000002004000020000000000000000004000080000000000000000000000002000000000020200010000000000000000000000000000004010010000000000000000000000004000100000100000000010000000000000040000000844000000000000080080000000100000080000000000000000400000000000000040008080100000280000000000000000004000000040000000000040000006004000100000000000000008000002000000200000000000000000000000001000040000000000000000000000000000041000000100200</structure-fingerprint> <structure-pattern-fingerprint>501440008d12864181603b608128a02000001408852520000c372040822409cc4c222059538000001908410820c0000004600226408d32010026f43100a1c090c7110c4016904400809010c000720290080405f053211b3342041462502249040c28052f004c020061402401ddb4024920a680708109e10451192868027100125048010a4ef282081c060256ca2c0008b91d889246001e8b5420082068c040a440c330100090c12002000968017c3d100ac000068941084818a06a100ce04232a04010a624d0023305808400741112d00d090000220050200d50020408808300901049100ac90a0011000411d11220a60050003090c6940e410811007a100602</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAeAAAAIQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BwBoAAAAAwIBBgBgAAAAAgIGAGAAAAADAQYAYAAAAAICEAAgAAAAAgZAKAAA AAMEB0AoAAAAAwMHQCgAAAADAwZAKAAAAAMEEEAoAAAAAwIHQCgAAAADAwZA KAAAAAMEB0AoAAAAAwMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQIACgAAAADAgYAYAAAAAED CABgAAAAAQELAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGByAHCAAICQAJCgAK CwALDAAMDWgMDQ5oDA4PaAwPEGgMDxEgERJoDBITaAwTFGgMFBVoDBUWaAwW F2gMFxhoDBgZaAwZGmgMGhsoAhIcAAkdAAYBaAwQDGgMGhFoDBkUaAxCBAAA AAYBBgUEAwIFDQwQDw4GEhMUGRoRBhUWFxgZFBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:07Z</structure-indexed-at> </compound>