N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C19H23N7OS — CID 121122849

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121122849) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• PubChem CID: 121122849
• Molecular Formula: C19H23N7OS
• Molecular Weight: 397.51 g/mol
• Exact Mass: 397.17
• IUPAC Name: N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
• SMILES: Cc1nc(C)c(CNC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)s1
• InChI: InChI=1S/C19H23N7OS/c1-13-16(28-14(2)22-13)12-20-19(27)15-6-10-25(11-7-15)17-4-5-18(24-23-17)26-9-3-8-21-26/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,27)
• InChIKey: ZOEUFDXQAGOUFG-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.51
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 121122849) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1nc(C)c(CNC(=O)C2CCN(c3ccc(-n4cccn4)nn3)CC2)s1.

What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

The InChIKey is ZOEUFDXQAGOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-13-16(28-14(2)22-13)12-20-19(27)15-6-10-25(11-7-15)17-4-5-18(24-23-17)26-9-3-8-21-26/h3-5,8-9,15H,6-7,10-12H2,1-2H3,(H,20,27).

What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide?

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 397.51 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121122849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).