313443 <common-name>2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine</common-name> <description>2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine is a chemical compound with the formula C18H22N6S. It has an average molecular weight of 354.50 g/mol.</description> <cas>71079-38-4</cas> <pubchem-id>3054275</pubchem-id> <chemical-formula>C18H22N6S</chemical-formula> <weight>354.5</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">2026-08-29T10:14:00Z</created-at> <updated-at type="dateTime">2026-08-29T10:14:00Z</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=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NN=C(S3)C</moldb-smiles> <moldb-formula>C18H22N6S</moldb-formula> <moldb-inchi>InChI=1S/C18H22N6S/c1-11-10-15(13-8-6-7-9-14(13)19-11)20-16(22-18(3,4)5)21-17-24-23-12(2)25-17/h6-10H,1-5H3,(H2,19,20,21,22,24)</moldb-inchi> <moldb-inchikey>UGMBCCDANMKCFZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">354.1626659</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM309336</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-tert-butyl-1-(2-methylquinolin-4-yl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)guanidine</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>Quinolines and derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0264352</sync-id> <structure-inchikey>UGMBCCDANMKCFZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000200000000000200000000000000000000000000000004000400000001000010000204480000000000000000000000000000000000000000000100000000000000000000000c0100000000000040000000000000000000100000000000000001000000200000000000000000100000000000000000000c0000000804000000000000080880020000100000080000000000000000000000000000000040000080000000000000000000000000000000200800000000020040000000000000000080000000000000010002010000200000000000000008000400001000040000000000000000000000000000010000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGQCgAAAAD BAdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBwBoAAAAAwIBBgAo AAAAAwQHACgAAAADAwYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAQMH AGgAAAADAgEGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBBBAKAAA AAMCBgBgAAAAAQMLAAEAAQJoDAIDaAwDBGgMBAVoDAUGaAwGB2gMBwhoDAgJ aAwJCmgMCQsgCwwgDA0oAg0OAA4PAA4QAA4RAAwSIBITIBMUaAwUFWgMFRZo DBYXaAwWGAAKAWgMCANoDBcTaAxCAwAAAAYBCgkIAwIGBAUGBwgDBRQTFxYV FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:20:09Z</structure-indexed-at> </compound>