1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C17H19N7OS — CID 90514767

About 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90514767) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 90514767
• Molecular Formula: C17H19N7OS
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.14
• IUPAC Name: 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: Cc1csc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)n1
• InChI: InChI=1S/C17H19N7OS/c1-12-10-26-17(19-12)20-16(25)13-3-2-7-23(9-13)14-4-5-15(22-21-14)24-8-6-18-11-24/h4-6,8,10-11,13H,2-3,7,9H2,1H3,(H,19,20,25)
• InChIKey: KZKNLODXTPMENG-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 90514767) is 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is Cc1csc(NC(=O)C2CCCN(c3ccc(-n4ccnc4)nn3)C2)n1.

What is the InChIKey of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is KZKNLODXTPMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-12-10-26-17(19-12)20-16(25)13-3-2-7-23(9-13)14-4-5-15(22-21-14)24-8-6-18-11-24/h4-6,8,10-11,13H,2-3,7,9H2,1H3,(H,19,20,25).

What are the key properties of 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide?

1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-imidazol-1-ylpyridazin-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).