[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H23F3N4O2S — CID 66840649

About [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840649) has the molecular formula C25H23F3N4O2S and a molecular weight of 500.55 g/mol. Its IUPAC name is [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840649
• Molecular Formula: C25H23F3N4O2S
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.15
• IUPAC Name: [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1cc(-c2ccccc2)cc(C(F)(F)F)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
• InChI: InChI=1S/C25H23F3N4O2S/c26-25(27,28)20-11-18(17-4-2-1-3-5-17)10-19(12-20)23(33)32-13-21(14-32)30-6-8-31(9-7-30)24(34)22-15-35-16-29-22/h1-5,10-12,15-16,21H,6-9,13-14H2
• InChIKey: AQXIWIOZLPBDOB-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 56.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840649) is [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1cc(-c2ccccc2)cc(C(F)(F)F)c1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1.

What is the InChIKey of [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is AQXIWIOZLPBDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2S/c26-25(27,28)20-11-18(17-4-2-1-3-5-17)10-19(12-20)23(33)32-13-21(14-32)30-6-8-31(9-7-30)24(34)22-15-35-16-29-22/h1-5,10-12,15-16,21H,6-9,13-14H2.

What are the key properties of [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

[3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 500.55 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-phenyl-5-(trifluoromethyl)phenyl]-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).