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

C18H13Cl2FN2OS — CID 118026813

IUPACN-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CF)c(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)s1
InChIInChI=1S/C18H13Cl2FN2OS/c1-10-22-16(9-21)17(25-10)18(24)23-13-4-2-3-11(7-13)12-5-6-14(19)15(20)8-12/h2-8H,9H2,1H3,(H,23,24)
InChIKeyZCHHEIGWILQNQS-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.15
Rot. Bonds4

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

N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118026813) has the molecular formula C18H13Cl2FN2OS and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID118026813
Molecular FormulaC18H13Cl2FN2OS
Molecular Weight395.29 g/mol
Exact Mass394.01
IUPAC NameN-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CF)c(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)s1
InChIInChI=1S/C18H13Cl2FN2OS/c1-10-22-16(9-21)17(25-10)18(24)23-13-4-2-3-11(7-13)12-5-6-14(19)15(20)8-12/h2-8H,9H2,1H3,(H,23,24)
InChIKeyZCHHEIGWILQNQS-UHFFFAOYSA-N
XLogP6.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 27195301
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N'-(2-amino-2-oxoethyl)-N-[3-(3,4-dichlorophenyl)phenyl]-N'-methyloxamide
CID 71888764
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
N-(4-amino-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 114034039
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103824607
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 118026813) is N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1nc(CF)c(C(=O)Nc2cccc(-c3ccc(Cl)c(Cl)c3)c2)s1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZCHHEIGWILQNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2OS/c1-10-22-16(9-21)17(25-10)18(24)23-13-4-2-3-11(7-13)12-5-6-14(19)15(20)8-12/h2-8H,9H2,1H3,(H,23,24).
What are the key properties of N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 6.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)phenyl]-4-(fluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118026813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).