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

C20H16F4N2O2S — CID 46948557

IUPAC3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H16F4N2O2S/c1-12-17(29-19(28)26(12)11-13-5-7-16(21)8-6-13)18(27)25-10-14-3-2-4-15(9-14)20(22,23)24/h2-9H,10-11H2,1H3,(H,25,27)
InChIKeyULOBFLKRQCKDIX-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.35
Rot. Bonds5

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

3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46948557) has the molecular formula C20H16F4N2O2S and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46948557
Molecular FormulaC20H16F4N2O2S
Molecular Weight424.42 g/mol
Exact Mass424.09
IUPAC Name3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C20H16F4N2O2S/c1-12-17(29-19(28)26(12)11-13-5-7-16(21)8-6-13)18(27)25-10-14-3-2-4-15(9-14)20(22,23)24/h2-9H,10-11H2,1H3,(H,25,27)
InChIKeyULOBFLKRQCKDIX-UHFFFAOYSA-N
XLogP4.35
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46948557) is 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[(4-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)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ULOBFLKRQCKDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O2S/c1-12-17(29-19(28)26(12)11-13-5-7-16(21)8-6-13)18(27)25-10-14-3-2-4-15(9-14)20(22,23)24/h2-9H,10-11H2,1H3,(H,25,27).
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
3-[(4-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-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46948557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).