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

C19H15Cl2FN2O2S — CID 46942420

IUPAC3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)sc(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN2O2S/c1-11-17(18(25)23-9-12-2-5-14(22)6-3-12)27-19(26)24(11)10-13-4-7-15(20)16(21)8-13/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyOTYICTLCDDWPMQ-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.64
Rot. Bonds5

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

3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46942420) has the molecular formula C19H15Cl2FN2O2S and a molecular weight of 425.31 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46942420
Molecular FormulaC19H15Cl2FN2O2S
Molecular Weight425.31 g/mol
Exact Mass424.02
IUPAC Name3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)NCc2ccc(F)cc2)sc(=O)n1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15Cl2FN2O2S/c1-11-17(18(25)23-9-12-2-5-14(22)6-3-12)27-19(26)24(11)10-13-4-7-15(20)16(21)8-13/h2-8H,9-10H2,1H3,(H,23,25)
InChIKeyOTYICTLCDDWPMQ-UHFFFAOYSA-N
XLogP4.64
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(3,4-dichlorophenyl)methyl]-3-[(4-ethenylphenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49790126
N-[(3,4-dichlorophenyl)methyl]-3-[(3-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49795102
N-[(3,4-dichlorophenyl)methyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49795195
N-[(3-chlorophenyl)methyl]-4-methyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
CID 49795274

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide (CID 46942420) is 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is Cc1c(C(=O)NCc2ccc(F)cc2)sc(=O)n1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is OTYICTLCDDWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O2S/c1-11-17(18(25)23-9-12-2-5-14(22)6-3-12)27-19(26)24(11)10-13-4-7-15(20)16(21)8-13/h2-8H,9-10H2,1H3,(H,23,25).
What are the key properties of 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide?
3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 425.31 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46942420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).