N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

C24H26N6O2S — CID 90528497

About N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 90528497) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• PubChem CID: 90528497
• Molecular Formula: C24H26N6O2S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.18
• IUPAC Name: N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(CC(=O)N1CCN(c3ccccc3)CC1)CC2)c1ccccn1
• InChI: InChI=1S/C24H26N6O2S/c31-22(30-14-12-29(13-15-30)18-6-2-1-3-7-18)17-28-11-9-19-21(16-28)33-24(26-19)27-23(32)20-8-4-5-10-25-20/h1-8,10H,9,11-17H2,(H,26,27,32)
• InChIKey: CHKPZSWKSHBYLG-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 81.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 90528497) is N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2c(s1)CN(CC(=O)N1CCN(c3ccccc3)CC1)CC2)c1ccccn1.

What is the InChIKey of N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

The InChIKey is CHKPZSWKSHBYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c31-22(30-14-12-29(13-15-30)18-6-2-1-3-7-18)17-28-11-9-19-21(16-28)33-24(26-19)27-23(32)20-8-4-5-10-25-20/h1-8,10H,9,11-17H2,(H,26,27,32).

What are the key properties of N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?

N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90528497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).