3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C23H24F4N2O2S — CID 42745406

About 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 42745406) has the molecular formula C23H24F4N2O2S and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 42745406
• Molecular Formula: C23H24F4N2O2S
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.15
• IUPAC Name: 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
• SMILES: CC(C)CC1SCC(C(=O)NCc2cccc(C(F)(F)F)c2)N1C(=O)c1ccccc1F
• InChI: InChI=1S/C23H24F4N2O2S/c1-14(2)10-20-29(22(31)17-8-3-4-9-18(17)24)19(13-32-20)21(30)28-12-15-6-5-7-16(11-15)23(25,26)27/h3-9,11,14,19-20H,10,12-13H2,1-2H3,(H,28,30)
• InChIKey: SXZBKAJRHICQIW-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 42745406) is 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCc2cccc(C(F)(F)F)c2)N1C(=O)c1ccccc1F.

What is the InChIKey of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is SXZBKAJRHICQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O2S/c1-14(2)10-20-29(22(31)17-8-3-4-9-18(17)24)19(13-32-20)21(30)28-12-15-6-5-7-16(11-15)23(25,26)27/h3-9,11,14,19-20H,10,12-13H2,1-2H3,(H,28,30).

What are the key properties of 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?

3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).