2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide

C25H24F3N3O2S — CID 10390743

About 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide

2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (PubChem CID 10390743) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
• PubChem CID: 10390743
• Molecular Formula: C25H24F3N3O2S
• Molecular Weight: 487.55 g/mol
• Exact Mass: 487.15
• IUPAC Name: 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide
• SMILES: Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O
• InChI: InChI=1S/C25H24F3N3O2S/c1-14-5-6-17(12-20(14)22(29)32)18-4-3-11-31(13-18)24(33)21-15(2)30-23(34-21)16-7-9-19(10-8-16)25(26,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,29,32)
• InChIKey: BHZLSMJVEWOZAQ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.55
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?

The IUPAC name of 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide (CID 10390743) is 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide.

What is the SMILES notation for 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?

The canonical SMILES for 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide is Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1C(N)=O.

What is the InChIKey of 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?

The InChIKey is BHZLSMJVEWOZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2S/c1-14-5-6-17(12-20(14)22(29)32)18-4-3-11-31(13-18)24(33)21-15(2)30-23(34-21)16-7-9-19(10-8-16)25(26,27)28/h5-10,12,18H,3-4,11,13H2,1-2H3,(H2,29,32).

What are the key properties of 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide?

2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide has a molecular weight of 487.55 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 10390743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).