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

C21H16F6N2O2S — CID 46943602

IUPAC4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F6N2O2S/c1-12-17(18(30)28-10-14-6-2-3-8-16(14)21(25,26)27)32-19(31)29(12)11-13-5-4-7-15(9-13)20(22,23)24/h2-9H,10-11H2,1H3,(H,28,30)
InChIKeyXVEUXRIKIUNDEN-UHFFFAOYSA-N
MW474.43 g/mol
LogP5.23
Rot. Bonds5

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

4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46943602) has the molecular formula C21H16F6N2O2S and a molecular weight of 474.43 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46943602
Molecular FormulaC21H16F6N2O2S
Molecular Weight474.43 g/mol
Exact Mass474.08
IUPAC Name4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F6N2O2S/c1-12-17(18(30)28-10-14-6-2-3-8-16(14)21(25,26)27)32-19(31)29(12)11-13-5-4-7-15(9-13)20(22,23)24/h2-9H,10-11H2,1H3,(H,28,30)
InChIKeyXVEUXRIKIUNDEN-UHFFFAOYSA-N
XLogP5.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.43
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46943602) is 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2ccccc2C(F)(F)F)sc(=O)n1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XVEUXRIKIUNDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2O2S/c1-12-17(18(30)28-10-14-6-2-3-8-16(14)21(25,26)27)32-19(31)29(12)11-13-5-4-7-15(9-13)20(22,23)24/h2-9H,10-11H2,1H3,(H,28,30).
What are the key properties of 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 474.43 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).