328404 <common-name>2-tert-butyl-1-[2-(2-methylpropyl)quinolin-4-yl]-3-(1,3-thiazol-2-yl)guanidine</common-name> <description>2-tert-butyl-1-[2-(2-methylpropyl)quinolin-4-yl]-3-(1,3-thiazol-2-yl)guanidine is a chemical compound with the formula C21H27N5S. It has an average molecular weight of 381.50 g/mol.</description> <cas>71079-96-4</cas> <pubchem-id>51246</pubchem-id> <chemical-formula>C21H27N5S</chemical-formula> <weight>381.5</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">2026-08-30T08:16:09Z</created-at> <updated-at type="dateTime">2026-08-30T08:16:09Z</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)CC1=NC2=CC=CC=C2C(=C1)NC(=NC(C)(C)C)NC3=NC=CS3</moldb-smiles> <moldb-formula>C21H27N5S</moldb-formula> <moldb-inchi>InChI=1S/C21H27N5S/c1-14(2)12-15-13-18(16-8-6-7-9-17(16)23-15)24-19(26-21(3,4)5)25-20-22-10-11-27-20/h6-11,13-14H,12H2,1-5H3,(H2,22,23,24,25,26)</moldb-inchi> <moldb-inchikey>OEZLBYGFUZUHJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">381.1987171</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM324297</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-(2-methylpropyl)quinolin-4-yl]-3-(1,3-thiazol-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>CED0278996</sync-id> <structure-inchikey>OEZLBYGFUZUHJL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>5002000000000000000180000000200000000000000000000000000000000000000000104000100000001000010000204480000000000000000000000000040000000000002000100000100000000000000000001000000000000c000000000000000000010000000000020000100000000000000000000000012000000000000000000040000000804000000000000080800020000100000080000000000000000000000000000000040000080000000000000000080000000000000000000000000021040000000000000000080000000000000000000000000200000000000400008000400101002040000000000000400000000002000010000000000000</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�B������ ������� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:30Z</structure-indexed-at> </compound>