2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C11H12F3N7OS — CID 84591616

About 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 84591616) has the molecular formula C11H12F3N7OS and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
• PubChem CID: 84591616
• Molecular Formula: C11H12F3N7OS
• Molecular Weight: 347.33 g/mol
• Exact Mass: 347.08
• IUPAC Name: 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
• SMILES: O=C(Cn1cnnn1)N1CCN(c2nc(C(F)(F)F)cs2)CC1
• InChI: InChI=1S/C11H12F3N7OS/c12-11(13,14)8-6-23-10(16-8)20-3-1-19(2-4-20)9(22)5-21-7-15-17-18-21/h6-7H,1-5H2
• InChIKey: JYZOJKHZVCNAQD-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 80.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.33
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 84591616) is 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is O=C(Cn1cnnn1)N1CCN(c2nc(C(F)(F)F)cs2)CC1.

What is the InChIKey of 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?

The InChIKey is JYZOJKHZVCNAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7OS/c12-11(13,14)8-6-23-10(16-8)20-3-1-19(2-4-20)9(22)5-21-7-15-17-18-21/h6-7H,1-5H2.

What are the key properties of 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?

2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 347.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(tetrazol-1-yl)-1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 84591616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).