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

C18H16N4O3S — CID 51154195

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

1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 51154195) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• PubChem CID: 51154195
• Molecular Formula: C18H16N4O3S
• Molecular Weight: 368.42 g/mol
• Exact Mass: 368.09
• IUPAC Name: 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
• SMILES: O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(Cc2ccco2)C1
• InChI: InChI=1S/C18H16N4O3S/c23-16-8-12(9-22(16)10-13-4-3-7-25-13)17(24)21-18-20-15(11-26-18)14-5-1-2-6-19-14/h1-7,11-12H,8-10H2,(H,20,21,24)
• InChIKey: MPAGRIORMNKERA-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 51154195) is 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

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

The canonical SMILES for 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CC(=O)N(Cc2ccco2)C1.

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

The InChIKey is MPAGRIORMNKERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-16-8-12(9-22(16)10-13-4-3-7-25-13)17(24)21-18-20-15(11-26-18)14-5-1-2-6-19-14/h1-7,11-12H,8-10H2,(H,20,21,24).

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

1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51154195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).