N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H13F3N4O2S — CID 155954521

About N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 155954521) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 155954521
• Molecular Formula: C16H13F3N4O2S
• Molecular Weight: 382.37 g/mol
• Exact Mass: 382.07
• IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: O=C(Cn1ccc(C(F)(F)F)n1)NC1(c2nc3ccccc3s2)COC1
• InChI: InChI=1S/C16H13F3N4O2S/c17-16(18,19)12-5-6-23(22-12)7-13(24)21-15(8-25-9-15)14-20-10-3-1-2-4-11(10)26-14/h1-6H,7-9H2,(H,21,24)
• InChIKey: ZLPOEYXDHZEIDI-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.37
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 155954521) is N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

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

The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC1(c2nc3ccccc3s2)COC1.

What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is ZLPOEYXDHZEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)12-5-6-23(22-12)7-13(24)21-15(8-25-9-15)14-20-10-3-1-2-4-11(10)26-14/h1-6H,7-9H2,(H,21,24).

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

N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 382.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 155954521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).