N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C21H20N4O2S — CID 60529709

About N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 60529709) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 60529709
• Molecular Formula: C21H20N4O2S
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.13
• IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: Cc1csc(N(C(=O)C2CC(=O)N(Cc3ccccn3)C2)c2ccccc2)n1
• InChI: InChI=1S/C21H20N4O2S/c1-15-14-28-21(23-15)25(18-8-3-2-4-9-18)20(27)16-11-19(26)24(12-16)13-17-7-5-6-10-22-17/h2-10,14,16H,11-13H2,1H3
• InChIKey: BXTIREQMQWCGGV-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 66.40 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 60529709) is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1csc(N(C(=O)C2CC(=O)N(Cc3ccccn3)C2)c2ccccc2)n1.

What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is BXTIREQMQWCGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-14-28-21(23-15)25(18-8-3-2-4-9-18)20(27)16-11-19(26)24(12-16)13-17-7-5-6-10-22-17/h2-10,14,16H,11-13H2,1H3.

What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 60529709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).