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

C22H22N2O2S — CID 46948267

IUPAC3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESC=Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1
InChIInChI=1S/C22H22N2O2S/c1-4-17-8-10-18(11-9-17)14-24-16(3)20(27-22(24)26)21(25)23-13-19-7-5-6-15(2)12-19/h4-12H,1,13-14H2,2-3H3,(H,23,25)
InChIKeyISQVYXFHANJXGC-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.15
Rot. Bonds6

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

3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46948267) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46948267
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESC=Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1
InChIInChI=1S/C22H22N2O2S/c1-4-17-8-10-18(11-9-17)14-24-16(3)20(27-22(24)26)21(25)23-13-19-7-5-6-15(2)12-19/h4-12H,1,13-14H2,2-3H3,(H,23,25)
InChIKeyISQVYXFHANJXGC-UHFFFAOYSA-N
XLogP4.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46948267) is 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is C=Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is ISQVYXFHANJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-4-17-8-10-18(11-9-17)14-24-16(3)20(27-22(24)26)21(25)23-13-19-7-5-6-15(2)12-19/h4-12H,1,13-14H2,2-3H3,(H,23,25).
What are the key properties of 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46948267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).