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

C25H18N4O2S — CID 2028555

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

(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 2028555) has the molecular formula C25H18N4O2S and a molecular weight of 438.51 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 2028555
• Molecular Formula: C25H18N4O2S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.12
• IUPAC Name: (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: N#C/C(C(=O)NCc1ccccc1)=c1/s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C25H18N4O2S/c26-16-21(23(30)28-17-19-7-3-1-4-8-19)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-18-11-13-27-14-12-18/h1-15H,17H2,(H,28,30)/b22-15+,25-21-
• InChIKey: HRBYEMHFMYSHQO-HQTVGPENSA-N
• XLogP: 2.11
• TPSA: 87.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide (CID 2028555) is (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide.

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

The canonical SMILES for (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)NCc1ccccc1)=c1/s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1.

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

The InChIKey is HRBYEMHFMYSHQO-HQTVGPENSA-N. The full InChI is InChI=1S/C25H18N4O2S/c26-16-21(23(30)28-17-19-7-3-1-4-8-19)25-29(20-9-5-2-6-10-20)24(31)22(32-25)15-18-11-13-27-14-12-18/h1-15H,17H2,(H,28,30)/b22-15+,25-21-.

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

(2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-N-benzyl-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 2028555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).