<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">306825</id>
  <title nil="true"/>
  <common-name>2-cyclopropyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine</common-name>
  <description>2-cyclopropyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine belongs to the quinolines and derivatives, a class of organoheterocyclic compounds within the organic compounds. It has the formula C17H17N5S and an average molecular weight of 323.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>51239</pubchem-id>
  <chemical-formula>C17H17N5S</chemical-formula>
  <weight>323.4</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">2026-08-29T00:39:12Z</created-at>
  <updated-at type="dateTime">2026-08-29T00:39:12Z</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(=NC3CC3)NC4=NC=CS4</moldb-smiles>
  <moldb-formula>C17H17N5S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H17N5S/c1-11-10-15(13-4-2-3-5-14(13)19-11)21-16(20-12-6-7-12)22-17-18-8-9-23-17/h2-5,8-10,12H,6-7H2,1H3,(H2,18,19,20,21,22)</moldb-inchi>
  <moldb-inchikey>OCQHHQWKJDTXOT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">323.1204667</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</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>CHEM302718</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-cyclopropyl-1-(2-methylquinolin-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>CED0257879</sync-id>
  <structure-inchikey>OCQHHQWKJDTXOT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000040001000000000000000002044000000000000000000000000000400000000000020100000001000000000000000008010000000000004000000000040000000010000000000000000100000020000020000000000010000000000100000000040000000804000000000000080800000000100000080200000000000000000000004000000040000080000000000000000080000000000000000800000000211040000000000000000080000000000000000002010000200000000000000008000400001002040000000000000400000000000000010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGgAAAIABBgBgAAAAAQMGQCgAAAAD
BAdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG
QGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkBoAAAAAwMBBwBoAAAAAwIBBgAo
AAAAAwQHACgAAAADAwYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgcAaAAAAAMC
AQZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEGQGgAAAADAwEQQCgAAAADAgsA
AQABAmgMAgNoDAMEaAwEBWgMBQZoDAYHaAwHCGgMCAloDAkKaAwJCyALDCAM
DSgCDQ4ADg8ADxAADBEgERIgEhNoDBMUaAwUFWgMFRZoDAoBaAwIA2gMEA4A
FhJoDEIEAAAABgEKCQgDAgYEBQYHCAMDDw4QBRMSFhUUFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:15:12Z</structure-indexed-at>
</compound>
