4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide

C24H23N3O2S — CID 3831558

About 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 3831558) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 3831558
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(NCc1ccccn1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C24H23N3O2S/c28-22-17-30-24(27(22)15-13-18-6-2-1-3-7-18)20-11-9-19(10-12-20)23(29)26-16-21-8-4-5-14-25-21/h1-12,14,24H,13,15-17H2,(H,26,29)
• InChIKey: CKCJZHPBBPDJJJ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 3831558) is 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.

What is the InChIKey of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is CKCJZHPBBPDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c28-22-17-30-24(27(22)15-13-18-6-2-1-3-7-18)20-11-9-19(10-12-20)23(29)26-16-21-8-4-5-14-25-21/h1-12,14,24H,13,15-17H2,(H,26,29).

What are the key properties of 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide?

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 3831558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).