3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide

C24H24F3N3O2S — CID 71082021

About 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide

3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide (PubChem CID 71082021) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
• PubChem CID: 71082021
• Molecular Formula: C24H24F3N3O2S
• Molecular Weight: 475.54 g/mol
• Exact Mass: 475.15
• IUPAC Name: 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
• SMILES: CCCC(=O)N(C)c1cccc(C(=O)Nc2sc(Cc3cccc(C(F)(F)F)c3)nc2C)c1
• InChI: InChI=1S/C24H24F3N3O2S/c1-4-7-21(31)30(3)19-11-6-9-17(14-19)22(32)29-23-15(2)28-20(33-23)13-16-8-5-10-18(12-16)24(25,26)27/h5-6,8-12,14H,4,7,13H2,1-3H3,(H,29,32)
• InChIKey: WWFVVRRYGWBQSW-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.54
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide (CID 71082021) is 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide.

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

The canonical SMILES for 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide is CCCC(=O)N(C)c1cccc(C(=O)Nc2sc(Cc3cccc(C(F)(F)F)c3)nc2C)c1.

What is the InChIKey of 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide?

The InChIKey is WWFVVRRYGWBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-4-7-21(31)30(3)19-11-6-9-17(14-19)22(32)29-23-15(2)28-20(33-23)13-16-8-5-10-18(12-16)24(25,26)27/h5-6,8-12,14H,4,7,13H2,1-3H3,(H,29,32).

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

3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide has a molecular weight of 475.54 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 71082021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).