2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C17H15F3N4OS — CID 166277855

About 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 166277855) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
• PubChem CID: 166277855
• Molecular Formula: C17H15F3N4OS
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.09
• IUPAC Name: 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1snc2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1
• InChI: InChI=1S/C17H15F3N4OS/c18-17(19,20)14-7-9-24(21-14)11-4-3-8-23(10-11)16(25)15-12-5-1-2-6-13(12)22-26-15/h1-2,5-7,9,11H,3-4,8,10H2
• InChIKey: JPZVXYQHKGWMAM-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.40
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The IUPAC name of 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 166277855) is 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1snc2ccccc12)N1CCCC(n2ccc(C(F)(F)F)n2)C1.

What is the InChIKey of 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The InChIKey is JPZVXYQHKGWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c18-17(19,20)14-7-9-24(21-14)11-4-3-8-23(10-11)16(25)15-12-5-1-2-6-13(12)22-26-15/h1-2,5-7,9,11H,3-4,8,10H2.

What are the key properties of 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?

2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 380.40 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 166277855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).