N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C20H20N4O3S — CID 55814000

About N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55814000) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 55814000
• Molecular Formula: C20H20N4O3S
• Molecular Weight: 396.47 g/mol
• Exact Mass: 396.13
• IUPAC Name: N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(N2CCCC2)c1
• InChI: InChI=1S/C20H20N4O3S/c25-18(21-14-5-3-6-16(11-14)24-8-1-2-9-24)12-15-13-28-20(22-15)23-19(26)17-7-4-10-27-17/h3-7,10-11,13H,1-2,8-9,12H2,(H,21,25)(H,22,23,26)
• InChIKey: QHLFLNHJHHKRDE-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.47
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55814000) is N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1cccc(N2CCCC2)c1.

What is the InChIKey of N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is QHLFLNHJHHKRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-18(21-14-5-3-6-16(11-14)24-8-1-2-9-24)12-15-13-28-20(22-15)23-19(26)17-7-4-10-27-17/h3-7,10-11,13H,1-2,8-9,12H2,(H,21,25)(H,22,23,26).

What are the key properties of N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55814000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).