1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C22H22N4O3S — CID 91641073

About 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 91641073) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 91641073
• Molecular Formula: C22H22N4O3S
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.14
• IUPAC Name: 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: COc1ccccc1CCN1CC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1=O
• InChI: InChI=1S/C22H22N4O3S/c1-29-19-8-3-2-6-15(19)9-11-26-13-16(12-20(26)27)21(28)25-22-24-18(14-30-22)17-7-4-5-10-23-17/h2-8,10,14,16H,9,11-13H2,1H3,(H,24,25,28)
• InChIKey: RFESATROBQWWIP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 91641073) is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is COc1ccccc1CCN1CC(C(=O)Nc2nc(-c3ccccn3)cs2)CC1=O.

What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

The InChIKey is RFESATROBQWWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-29-19-8-3-2-6-15(19)9-11-26-13-16(12-20(26)27)21(28)25-22-24-18(14-30-22)17-7-4-5-10-23-17/h2-8,10,14,16H,9,11-13H2,1H3,(H,24,25,28).

What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?

1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91641073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).