3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide

C22H24N2O2S — CID 46943981

IUPAC3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(=O)n(Cc3c(C)cccc3C)c2C)c1
InChIInChI=1S/C22H24N2O2S/c1-14-7-5-10-18(11-14)12-23-21(25)20-17(4)24(22(26)27-20)13-19-15(2)8-6-9-16(19)3/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyZDTSRUAMANKXLS-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.12
Rot. Bonds5

About 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide

3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943981) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943981
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2sc(=O)n(Cc3c(C)cccc3C)c2C)c1
InChIInChI=1S/C22H24N2O2S/c1-14-7-5-10-18(11-14)12-23-21(25)20-17(4)24(22(26)27-20)13-19-15(2)8-6-9-16(19)3/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyZDTSRUAMANKXLS-UHFFFAOYSA-N
XLogP4.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46943981) is 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is Cc1cccc(CNC(=O)c2sc(=O)n(Cc3c(C)cccc3C)c2C)c1.
What is the InChIKey of 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is ZDTSRUAMANKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14-7-5-10-18(11-14)12-23-21(25)20-17(4)24(22(26)27-20)13-19-15(2)8-6-9-16(19)3/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)methyl]-4-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).