2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C18H22N6OS — CID 70787429

About 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 70787429) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 70787429
• Molecular Formula: C18H22N6OS
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.16
• IUPAC Name: 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
• SMILES: Cc1ccnn1CC(=O)N1CCC(c2nccn2Cc2cscn2)CC1
• InChI: InChI=1S/C18H22N6OS/c1-14-2-5-21-24(14)11-17(25)22-7-3-15(4-8-22)18-19-6-9-23(18)10-16-12-26-13-20-16/h2,5-6,9,12-13,15H,3-4,7-8,10-11H2,1H3
• InChIKey: GRNNLTGIJDUSJS-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 70787429) is 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is Cc1ccnn1CC(=O)N1CCC(c2nccn2Cc2cscn2)CC1.

What is the InChIKey of 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is GRNNLTGIJDUSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-14-2-5-21-24(14)11-17(25)22-7-3-15(4-8-22)18-19-6-9-23(18)10-16-12-26-13-20-16/h2,5-6,9,12-13,15H,3-4,7-8,10-11H2,1H3.

What are the key properties of 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?

2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 370.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methylpyrazol-1-yl)-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70787429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).