(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one

C15H16ClN3OS — CID 127049166

IUPAC(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-
InChIKeyOUBVNEPAQFRGIH-SDXDJHTJSA-N
MW321.83 g/mol
LogP3.70
Rot. Bonds3

About (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one

(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (PubChem CID 127049166) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
PubChem CID127049166
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-
InChIKeyOUBVNEPAQFRGIH-SDXDJHTJSA-N
XLogP3.70
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-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 (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one (CID 127049166) is (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C2CCCC2)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
The InChIKey is OUBVNEPAQFRGIH-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-12-7-5-11(6-8-12)9-19-14(20)10-21-15(19)18-17-13-3-1-2-4-13/h5-8H,1-4,9-10H2/b18-15-.
What are the key properties of (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one?
(2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one has a molecular weight of 321.83 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-chlorophenyl)methyl]-2-(cyclopentylidenehydrazinylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 127049166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).