2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

C24H14Cl2N4O2S — CID 3880899

About 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide

2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 3880899) has the molecular formula C24H14Cl2N4O2S and a molecular weight of 493.38 g/mol. Its IUPAC name is 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 3880899
• Molecular Formula: C24H14Cl2N4O2S
• Molecular Weight: 493.38 g/mol
• Exact Mass: 492.02
• IUPAC Name: 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C24H14Cl2N4O2S/c25-16-6-7-20(19(26)13-16)29-22(31)18(14-27)24-30(17-4-2-1-3-5-17)23(32)21(33-24)12-15-8-10-28-11-9-15/h1-13H,(H,29,31)
• InChIKey: ZCNJYCBTHNPFHK-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.38
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (CID 3880899) is 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1.

What is the InChIKey of 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is ZCNJYCBTHNPFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N4O2S/c25-16-6-7-20(19(26)13-16)29-22(31)18(14-27)24-30(17-4-2-1-3-5-17)23(32)21(33-24)12-15-8-10-28-11-9-15/h1-13H,(H,29,31).

What are the key properties of 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide?

2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 493.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-N-(2,4-dichlorophenyl)-2-[4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 3880899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).