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

C21H19F3N2O2S — CID 46944185

IUPAC4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1
InChIInChI=1S/C21H19F3N2O2S/c1-13-7-9-15(10-8-13)12-26-14(2)18(29-20(26)28)19(27)25-11-16-5-3-4-6-17(16)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyLKMLMXZDCGEWAX-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.52
Rot. Bonds5

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

4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46944185) has the molecular formula C21H19F3N2O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46944185
Molecular FormulaC21H19F3N2O2S
Molecular Weight420.46 g/mol
Exact Mass420.11
IUPAC Name4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1
InChIInChI=1S/C21H19F3N2O2S/c1-13-7-9-15(10-8-13)12-26-14(2)18(29-20(26)28)19(27)25-11-16-5-3-4-6-17(16)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyLKMLMXZDCGEWAX-UHFFFAOYSA-N
XLogP4.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46944185) is 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(Cn2c(C)c(C(=O)NCc3ccccc3C(F)(F)F)sc2=O)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LKMLMXZDCGEWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2S/c1-13-7-9-15(10-8-13)12-26-14(2)18(29-20(26)28)19(27)25-11-16-5-3-4-6-17(16)21(22,23)24/h3-10H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46944185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).