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

C19H19N5O3S — CID 31566136

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

N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 31566136) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 31566136
• Molecular Formula: C19H19N5O3S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.12
• IUPAC Name: N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(c3ccncc3)CC2)cs1)c1ccco1
• InChI: InChI=1S/C19H19N5O3S/c25-17(24-9-7-23(8-10-24)15-3-5-20-6-4-15)12-14-13-28-19(21-14)22-18(26)16-2-1-11-27-16/h1-6,11,13H,7-10,12H2,(H,21,22,26)
• InChIKey: ULUUTCUZQLJQFL-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 31566136) is N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(CC(=O)N2CCN(c3ccncc3)CC2)cs1)c1ccco1.

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

The InChIKey is ULUUTCUZQLJQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c25-17(24-9-7-23(8-10-24)15-3-5-20-6-4-15)12-14-13-28-19(21-14)22-18(26)16-2-1-11-27-16/h1-6,11,13H,7-10,12H2,(H,21,22,26).

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

N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31566136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).