(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one

C28H28Cl2N4OS — CID 10152819

IUPAC(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)SC(c2cccc(Cl)c2)N1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C28H28Cl2N4OS/c29-23-8-3-6-21(18-23)19-25-27(35)34(28(36-25)22-7-4-9-24(30)20-22)13-5-12-32-14-16-33(17-15-32)26-10-1-2-11-31-26/h1-4,6-11,18-20,28H,5,12-17H2/b25-19+
InChIKeyGNKMRCCOUWZORH-NCELDCMTSA-N
MW539.53 g/mol
LogP6.22
Rot. Bonds7

About (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one

(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (PubChem CID 10152819) has the molecular formula C28H28Cl2N4OS and a molecular weight of 539.53 g/mol. Its IUPAC name is (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
PubChem CID10152819
Molecular FormulaC28H28Cl2N4OS
Molecular Weight539.53 g/mol
Exact Mass538.14
IUPAC Name(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)SC(c2cccc(Cl)c2)N1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C28H28Cl2N4OS/c29-23-8-3-6-21(18-23)19-25-27(35)34(28(36-25)22-7-4-9-24(30)20-22)13-5-12-32-14-16-33(17-15-32)26-10-1-2-11-31-26/h1-4,6-11,18-20,28H,5,12-17H2/b25-19+
InChIKeyGNKMRCCOUWZORH-NCELDCMTSA-N
XLogP6.22
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.53
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one (CID 10152819) is (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccc(Cl)c2)SC(c2cccc(Cl)c2)N1CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
The InChIKey is GNKMRCCOUWZORH-NCELDCMTSA-N. The full InChI is InChI=1S/C28H28Cl2N4OS/c29-23-8-3-6-21(18-23)19-25-27(35)34(28(36-25)22-7-4-9-24(30)20-22)13-5-12-32-14-16-33(17-15-32)26-10-1-2-11-31-26/h1-4,6-11,18-20,28H,5,12-17H2/b25-19+.
What are the key properties of (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one?
(5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one has a molecular weight of 539.53 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(3-chlorophenyl)-5-[(3-chlorophenyl)methylidene]-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10152819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).