[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

C15H17N7OS — CID 56778945

About [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 56778945) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 56778945
• Molecular Formula: C15H17N7OS
• Molecular Weight: 343.42 g/mol
• Exact Mass: 343.12
• IUPAC Name: [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
• SMILES: O=C(c1csc(-c2ncn[nH]2)n1)N1CCCCC1Cn1cccn1
• InChI: InChI=1S/C15H17N7OS/c23-15(12-9-24-14(19-12)13-16-10-17-20-13)22-7-2-1-4-11(22)8-21-6-3-5-18-21/h3,5-6,9-11H,1-2,4,7-8H2,(H,16,17,20)
• InChIKey: CZAMONQCZAUHRC-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.42
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone?

The IUPAC name of [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone (CID 56778945) is [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone.

What is the SMILES notation for [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone?

The canonical SMILES for [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ncn[nH]2)n1)N1CCCCC1Cn1cccn1.

What is the InChIKey of [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone?

The InChIKey is CZAMONQCZAUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c23-15(12-9-24-14(19-12)13-16-10-17-20-13)22-7-2-1-4-11(22)8-21-6-3-5-18-21/h3,5-6,9-11H,1-2,4,7-8H2,(H,16,17,20).

What are the key properties of [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone?

[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 343.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56778945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).