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

C21H22N2O2S2 — CID 46942894

IUPAC4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCSc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1
InChIInChI=1S/C21H22N2O2S2/c1-14-5-4-6-17(11-14)12-22-20(24)19-15(2)23(21(25)27-19)13-16-7-9-18(26-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyPABLFNANGLFIAV-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.23
Rot. Bonds6

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

4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46942894) has the molecular formula C21H22N2O2S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46942894
Molecular FormulaC21H22N2O2S2
Molecular Weight398.55 g/mol
Exact Mass398.11
IUPAC Name4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCSc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1
InChIInChI=1S/C21H22N2O2S2/c1-14-5-4-6-17(11-14)12-22-20(24)19-15(2)23(21(25)27-19)13-16-7-9-18(26-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyPABLFNANGLFIAV-UHFFFAOYSA-N
XLogP4.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46944184
N-benzyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2462213
3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46943981
4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46943030
4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46943097
4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46943602
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 46948007
3-[(4-ethenylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46948267
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46948471
4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 49778228
N-[(4-fluorophenyl)methyl]-4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 49778403
4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 49778815

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46942894) is 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is CSc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1.
What is the InChIKey of 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is PABLFNANGLFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S2/c1-14-5-4-6-17(11-14)12-22-20(24)19-15(2)23(21(25)27-19)13-16-7-9-18(26-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylphenyl)methyl]-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46942894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).