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

C19H16ClFN2O2S — CID 46943008

IUPACN-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2cccc(Cl)c2)sc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-17(18(24)22-10-14-3-2-4-15(20)9-14)26-19(25)23(12)11-13-5-7-16(21)8-6-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyILJAAPFBPVIANN-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.99
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943008) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943008
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2cccc(Cl)c2)sc(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C19H16ClFN2O2S/c1-12-17(18(24)22-10-14-3-2-4-15(20)9-14)26-19(25)23(12)11-13-5-7-16(21)8-6-13/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyILJAAPFBPVIANN-UHFFFAOYSA-N
XLogP3.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
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]-4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 46948261
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-fluorophenyl)methyl]-4-methyl-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 49786218
3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 49786603
3-[(2-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49786659
3-[(3,5-dimethylphenyl)methyl]-N-[(4-fluorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49786884
3-[(2-fluorophenyl)methyl]-4-methyl-2-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 49789184

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (CID 46943008) is N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2cccc(Cl)c2)sc(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is ILJAAPFBPVIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-12-17(18(24)22-10-14-3-2-4-15(20)9-14)26-19(25)23(12)11-13-5-7-16(21)8-6-13/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).