N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

C25H22N6OS2 — CID 121071423

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121071423) has the molecular formula C25H22N6OS2 and a molecular weight of 486.63 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
• PubChem CID: 121071423
• Molecular Formula: C25H22N6OS2
• Molecular Weight: 486.63 g/mol
• Exact Mass: 486.13
• IUPAC Name: N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1cccc(-c2cn3ccsc3n2)c1)C1CCCN(c2ccc(-c3cccs3)nn2)C1
• InChI: InChI=1S/C25H22N6OS2/c32-24(26-19-6-1-4-17(14-19)21-16-31-11-13-34-25(31)27-21)18-5-2-10-30(15-18)23-9-8-20(28-29-23)22-7-3-12-33-22/h1,3-4,6-9,11-14,16,18H,2,5,10,15H2,(H,26,32)
• InChIKey: RQJUTCXEMIULJS-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.63
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121071423) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide.

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

The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1cccc(-c2cn3ccsc3n2)c1)C1CCCN(c2ccc(-c3cccs3)nn2)C1.

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

The InChIKey is RQJUTCXEMIULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6OS2/c32-24(26-19-6-1-4-17(14-19)21-16-31-11-13-34-25(31)27-21)18-5-2-10-30(15-18)23-9-8-20(28-29-23)22-7-3-12-33-22/h1,3-4,6-9,11-14,16,18H,2,5,10,15H2,(H,26,32).

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 486.63 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121071423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).