<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">314474</id>
  <title nil="true"/>
  <common-name>1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-(4-methylpiperazin-1-yl)ethanone</common-name>
  <description>1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-(4-methylpiperazin-1-yl)ethanone is a chemical compound with the formula C18H27N3O3S. It has an average molecular weight of 365.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>10474038</pubchem-id>
  <chemical-formula>C18H27N3O3S</chemical-formula>
  <weight>365.5</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">2026-08-29T11:32:37Z</created-at>
  <updated-at type="dateTime">2026-08-29T11:32:37Z</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>CN1CCN(CC1)CC(=O)N2CCSC2COC3=CC=CC=C3OC</moldb-smiles>
  <moldb-formula>C18H27N3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H27N3O3S/c1-19-7-9-20(10-8-19)13-17(22)21-11-12-25-18(21)14-24-16-6-4-3-5-15(16)23-2/h3-6,18H,7-14H2,1-2H3</moldb-inchi>
  <moldb-inchikey>WWGRDXOULNBHIO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">365.1773129</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM310367</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>1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-(4-methylpiperazin-1-yl)ethanone</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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0265368</sync-id>
  <structure-inchikey>WWGRDXOULNBHIO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000020800001000000000800000000400000010000000020400000040100000000000100000000000000000010000000000000000000000000000000000000008000000000000020000020000010000100000000000000000000000400010000000040000000000000000000020100000000000000020040100000000040000000800100000000804000000000000100000000080000080000000200008000000000000000080000002000000000080000008200000000000080000000000000000000000000000000000000000000000000000200000000010000000000000000000040000000000400000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000008132964081800d400128a0000000140001052000003500408210080c44021050108000000000410800800100046000a5c08c32010030643000a04000c6110c0002900600009010000672020000042580510112b240400422000049000c2005270048820020001400d5340001200080500101e0043198002002510002104000180ef082080c060240082c0008191c0812444014020000080000404084484310001090c00000000960057c25100ad00000894108401800061008c002100010488424000032018004040401028008000001020050200d0002040800020010904010188000080000000350123000001000309042000e0000008050000406</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`������� ������`�������`�������`�������(�������(�������(�������`�������`������� ������`�������`�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������������������������������	(��
 
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�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:20:54Z</structure-indexed-at>
</compound>
