N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C20H19N5O5S — CID 16881497

About N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881497) has the molecular formula C20H19N5O5S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 16881497
• Molecular Formula: C20H19N5O5S
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.11
• IUPAC Name: N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccc[nH]c1=O
• InChI: InChI=1S/C20H19N5O5S/c26-16(24-6-8-25(9-7-24)19(29)15-4-2-10-30-15)11-13-12-31-20(22-13)23-18(28)14-3-1-5-21-17(14)27/h1-5,10,12H,6-9,11H2,(H,21,27)(H,22,23,28)
• InChIKey: JZCOSEOGQRQURV-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 128.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 16881497) is N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1)c1ccc[nH]c1=O.

What is the InChIKey of N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is JZCOSEOGQRQURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5S/c26-16(24-6-8-25(9-7-24)19(29)15-4-2-10-30-15)11-13-12-31-20(22-13)23-18(28)14-3-1-5-21-17(14)27/h1-5,10,12H,6-9,11H2,(H,21,27)(H,22,23,28).

What are the key properties of N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?

N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).