2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C20H21N3O3S — CID 71920253

About 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 71920253) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
• PubChem CID: 71920253
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
• SMILES: O=C(Nc1ncc(-c2ccccc2)s1)N1CCCC1CC(O)c1ccco1
• InChI: InChI=1S/C20H21N3O3S/c24-16(17-9-5-11-26-17)12-15-8-4-10-23(15)20(25)22-19-21-13-18(27-19)14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15-16,24H,4,8,10,12H2,(H,21,22,25)
• InChIKey: OEJSIOALKFMWEN-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 78.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 71920253) is 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ncc(-c2ccccc2)s1)N1CCCC1CC(O)c1ccco1.

What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

The InChIKey is OEJSIOALKFMWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-16(17-9-5-11-26-17)12-15-8-4-10-23(15)20(25)22-19-21-13-18(27-19)14-6-2-1-3-7-14/h1-3,5-7,9,11,13,15-16,24H,4,8,10,12H2,(H,21,22,25).

What are the key properties of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?

2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71920253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).