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

C20H18Cl2N2O2S — CID 46944156

IUPACN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-5-14(6-4-12)11-24-13(2)18(27-20(24)26)19(25)23-10-15-7-8-16(21)17(22)9-15/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyJRBIYDDFZGAPGA-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.81
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46944156) has the molecular formula C20H18Cl2N2O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46944156
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-3-5-14(6-4-12)11-24-13(2)18(27-20(24)26)19(25)23-10-15-7-8-16(21)17(22)9-15/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyJRBIYDDFZGAPGA-UHFFFAOYSA-N
XLogP4.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46942420
N-[(3-chlorophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46942578
N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943008
3-[(3,4-dichlorophenyl)methyl]-4-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 46943977
N-[(3,4-dichlorophenyl)methyl]-3-[[4-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46944180
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46948261
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 49778283
N-[(3-chlorophenyl)methyl]-3-[(2,6-dimethylphenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49778584
N-[(3-chlorophenyl)methyl]-3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49778750
3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49789487
N-[(3-chlorophenyl)methyl]-4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 49789514
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethenylphenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49790126

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46944156) is N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is Cc1ccc(Cn2c(C)c(C(=O)NCc3ccc(Cl)c(Cl)c3)sc2=O)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is JRBIYDDFZGAPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c1-12-3-5-14(6-4-12)11-24-13(2)18(27-20(24)26)19(25)23-10-15-7-8-16(21)17(22)9-15/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46944156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).