2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

C23H21F5N2OS — CID 143518114

About 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 143518114) has the molecular formula C23H21F5N2OS and a molecular weight of 468.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 143518114
• Molecular Formula: C23H21F5N2OS
• Molecular Weight: 468.49 g/mol
• Exact Mass: 468.13
• IUPAC Name: 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CCCC(C)Cc1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H21F5N2OS/c1-3-6-13(2)11-18-20(14-7-4-8-15(12-14)23(26,27)28)32-22(29-18)30-21(31)19-16(24)9-5-10-17(19)25/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,29,30,31)
• InChIKey: FDTOAHRTHLUWMA-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.49
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 143518114) is 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is CCCC(C)Cc1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is FDTOAHRTHLUWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5N2OS/c1-3-6-13(2)11-18-20(14-7-4-8-15(12-14)23(26,27)28)32-22(29-18)30-21(31)19-16(24)9-5-10-17(19)25/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,29,30,31).

What are the key properties of 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?

2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 468.49 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[4-(2-methylpentyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 143518114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).