3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C20H16F4N2O2S — CID 46944184

About 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46944184) has the molecular formula C20H16F4N2O2S and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 46944184
• Molecular Formula: C20H16F4N2O2S
• Molecular Weight: 424.42 g/mol
• Exact Mass: 424.09
• IUPAC Name: 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1cccc(F)c1
• InChI: InChI=1S/C20H16F4N2O2S/c1-12-17(29-19(28)26(12)11-14-5-3-7-16(21)9-14)18(27)25-10-13-4-2-6-15(8-13)20(22,23)24/h2-9H,10-11H2,1H3,(H,25,27)
• InChIKey: PLNKSAGEQLSFIP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.42
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46944184) is 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1cccc(F)c1.

What is the InChIKey of 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is PLNKSAGEQLSFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2S/c1-12-17(29-19(28)26(12)11-14-5-3-7-16(21)9-14)18(27)25-10-13-4-2-6-15(8-13)20(22,23)24/h2-9H,10-11H2,1H3,(H,25,27).

What are the key properties of 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 424.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46944184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).