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

C23H22F3N3O3S — CID 46943078

IUPAC3-[[4-(dimethylcarbamoyl)phenyl]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(C(=O)N(C)C)cc1
InChIInChI=1S/C23H22F3N3O3S/c1-14-19(20(30)27-12-16-5-4-6-18(11-16)23(24,25)26)33-22(32)29(14)13-15-7-9-17(10-8-15)21(31)28(2)3/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyJBSDXEWQVWKDFV-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.92
Rot. Bonds6

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

3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46943078) has the molecular formula C23H22F3N3O3S and a molecular weight of 477.51 g/mol. Its IUPAC name is 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID46943078
Molecular FormulaC23H22F3N3O3S
Molecular Weight477.51 g/mol
Exact Mass477.13
IUPAC Name3-[[4-(dimethylcarbamoyl)phenyl]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(C(=O)N(C)C)cc1
InChIInChI=1S/C23H22F3N3O3S/c1-14-19(20(30)27-12-16-5-4-6-18(11-16)23(24,25)26)33-22(32)29(14)13-15-7-9-17(10-8-15)21(31)28(2)3/h4-11H,12-13H2,1-3H3,(H,27,30)
InChIKeyJBSDXEWQVWKDFV-UHFFFAOYSA-N
XLogP3.92
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 46943078) is 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[[4-(dimethylcarbamoyl)phenyl]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(C(=O)N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JBSDXEWQVWKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3S/c1-14-19(20(30)27-12-16-5-4-6-18(11-16)23(24,25)26)33-22(32)29(14)13-15-7-9-17(10-8-15)21(31)28(2)3/h4-11H,12-13H2,1-3H3,(H,27,30).
What are the key properties of 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).