3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C23H20FN3O2S — CID 42748301

About 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748301) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
• PubChem CID: 42748301
• Molecular Formula: C23H20FN3O2S
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.13
• IUPAC Name: 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
• SMILES: O=C(NCc1ccccn1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccccc1
• InChI: InChI=1S/C23H20FN3O2S/c24-18-10-6-9-17(13-18)23-27(22(29)16-7-2-1-3-8-16)20(15-30-23)21(28)26-14-19-11-4-5-12-25-19/h1-13,20,23H,14-15H2,(H,26,28)
• InChIKey: ZCZSESIQKAVZAT-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42748301) is 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccn1)C1CSC(c2cccc(F)c2)N1C(=O)c1ccccc1.

What is the InChIKey of 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?

The InChIKey is ZCZSESIQKAVZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c24-18-10-6-9-17(13-18)23-27(22(29)16-7-2-1-3-8-16)20(15-30-23)21(28)26-14-19-11-4-5-12-25-19/h1-13,20,23H,14-15H2,(H,26,28).

What are the key properties of 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?

3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).