(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide

C26H20ClN3O2S — CID 6011071

IUPAC(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C26H20ClN3O2S/c27-20-11-13-21(14-12-20)30-25(32)23(15-18-7-3-1-4-8-18)33-26(30)22(16-28)24(31)29-17-19-9-5-2-6-10-19/h1-14,23H,15,17H2,(H,29,31)/b26-22-
InChIKeyKJQCBCHYCFPONY-ROMGYVFFSA-N
MW473.99 g/mol
LogP5.08
Rot. Bonds6

About (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide

(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide (PubChem CID 6011071) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
PubChem CID6011071
Molecular FormulaC26H20ClN3O2S
Molecular Weight473.99 g/mol
Exact Mass473.10
IUPAC Name(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C26H20ClN3O2S/c27-20-11-13-21(14-12-20)30-25(32)23(15-18-7-3-1-4-8-18)33-26(30)22(16-28)24(31)29-17-19-9-5-2-6-10-19/h1-14,23H,15,17H2,(H,29,31)/b26-22-
InChIKeyKJQCBCHYCFPONY-ROMGYVFFSA-N
XLogP5.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.99
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide 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)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide?
The IUPAC name of (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide (CID 6011071) is (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide.
What is the SMILES notation for (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide?
The canonical SMILES for (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is N#C/C(C(=O)NCc1ccccc1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide?
The InChIKey is KJQCBCHYCFPONY-ROMGYVFFSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c27-20-11-13-21(14-12-20)30-25(32)23(15-18-7-3-1-4-8-18)33-26(30)22(16-28)24(31)29-17-19-9-5-2-6-10-19/h1-14,23H,15,17H2,(H,29,31)/b26-22-.
What are the key properties of (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide?
(2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide has a molecular weight of 473.99 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-2-[5-benzyl-3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is sourced from PubChem (CID 6011071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).