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

C20H18Cl2N2O2S — CID 46942470

IUPACN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc1=O
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-5-3-4-6-15(12)11-24-13(2)18(27-20(24)26)19(25)23-10-14-7-8-16(21)17(22)9-14/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyDRODAFUJKKGDOL-UHFFFAOYSA-N
MW421.35 g/mol
LogP4.81
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46942470) 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-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46942470
Molecular FormulaC20H18Cl2N2O2S
Molecular Weight421.35 g/mol
Exact Mass420.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc1=O
InChIInChI=1S/C20H18Cl2N2O2S/c1-12-5-3-4-6-15(12)11-24-13(2)18(27-20(24)26)19(25)23-10-14-7-8-16(21)17(22)9-14/h3-9H,10-11H2,1-2H3,(H,23,25)
InChIKeyDRODAFUJKKGDOL-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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46942470) is N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is Cc1ccccc1Cn1c(C)c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is DRODAFUJKKGDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2S/c1-12-5-3-4-6-15(12)11-24-13(2)18(27-20(24)26)19(25)23-10-14-7-8-16(21)17(22)9-14/h3-9H,10-11H2,1-2H3,(H,23,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-methyl-3-[(2-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-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46942470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).