2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C18H11Cl2F3N2OS — CID 10002834

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26)
InChIKeyKKNUTDMOTMJMMC-UHFFFAOYSA-N
MW431.27 g/mol
LogP6.31
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 10002834) has the molecular formula C18H11Cl2F3N2OS and a molecular weight of 431.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID10002834
Molecular FormulaC18H11Cl2F3N2OS
Molecular Weight431.27 g/mol
Exact Mass429.99
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26)
InChIKeyKKNUTDMOTMJMMC-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.27
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 10048421
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10477833
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)thiazole-5-carboxamide
CID 42618046
2-[(2,6-dichlorophenyl)methyl]-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 10072184
2-[2-(2,6-dichlorophenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 44405321
N,2-diphenyl-1,3-thiazole-5-carboxamide
CID 12121701
2-chloro-4-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17443715
N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5299223
N-[(4-chlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 24821489
2-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 57537819
2-[(1S)-1-aminoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 57537866
2-[(1R)-1-aminoethyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 57537896

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 10002834) is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KKNUTDMOTMJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N2OS/c19-13-2-1-3-14(20)12(13)8-16-24-9-15(27-16)17(26)25-11-6-4-10(5-7-11)18(21,22)23/h1-7,9H,8H2,(H,25,26).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 431.27 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10002834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).