N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

C24H22N8OS — CID 90520690

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90520690) has the molecular formula C24H22N8OS and a molecular weight of 470.56 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• PubChem CID: 90520690
• Molecular Formula: C24H22N8OS
• Molecular Weight: 470.56 g/mol
• Exact Mass: 470.16
• IUPAC Name: N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCN(c2cc(-n3cccn3)ncn2)C1
• InChI: InChI=1S/C24H22N8OS/c33-23(28-19-6-4-17(5-7-19)20-15-31-11-12-34-24(31)29-20)18-3-1-9-30(14-18)21-13-22(26-16-25-21)32-10-2-8-27-32/h2,4-8,10-13,15-16,18H,1,3,9,14H2,(H,28,33)
• InChIKey: CUQIPLCQCVOFDN-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.56
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90520690) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCN(c2cc(-n3cccn3)ncn2)C1.

What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

The InChIKey is CUQIPLCQCVOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8OS/c33-23(28-19-6-4-17(5-7-19)20-15-31-11-12-34-24(31)29-20)18-3-1-9-30(14-18)21-13-22(26-16-25-21)32-10-2-8-27-32/h2,4-8,10-13,15-16,18H,1,3,9,14H2,(H,28,33).

What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide?

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90520690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).