305987 <common-name>(6-carbamimidoylnaphthalen-2-yl) 5-(aminomethyl)thiophene-2-carboxylate</common-name> <description>(6-carbamimidoylnaphthalen-2-yl) 5-(aminomethyl)thiophene-2-carboxylate belongs to the naphthalenes, a class of benzenoids within the organic compounds. It has the chemical formula C17H15N3O2S and an average molecular weight of 325.40 g/mol.</description> <cas nil="true"/> <pubchem-id>13364006</pubchem-id> <chemical-formula>C17H15N3O2S</chemical-formula> <weight>325.4</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">2026-08-28T23:42:39Z</created-at> <updated-at type="dateTime">2026-08-28T23:42:39Z</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>C1=CC2=C(C=CC(=C2)OC(=O)C3=CC=C(S3)CN)C=C1C(=N)N</moldb-smiles> <moldb-formula>C17H15N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C17H15N3O2S/c18-9-14-5-6-15(23-14)17(21)22-13-4-3-10-7-12(16(19)20)2-1-11(10)8-13/h1-8H,9,18H2,(H3,19,20)</moldb-inchi> <moldb-inchikey>XOBCRQJEBARNMT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">325.0884979</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM301880</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>(6-carbamimidoylnaphthalen-2-yl) 5-(aminomethyl)thiophene-2-carboxylate</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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0257060</sync-id> <structure-inchikey>XOBCRQJEBARNMT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>a00000000000000840002000000000100000000000000000000000000000200020000000000000000000100000000000000000000080000000000010000000000400000100000020800010000100000200000000000000000010010000201000000020100000000000000000000000000400000000000000000000000000000080000000000000001000000000000000000000000000000080000000000000000000084000000000000000000000000000000000000000000000000000000000000000000000000000004000000040000a00800000000000000000000001000040000000000400000002800000000000000000000000</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���h�B����������������������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:39Z</structure-indexed-at> </compound>