N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

C17H9Cl2F3N2OS — CID 2557251

IUPACN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H9Cl2F3N2OS/c18-12-5-4-9(7-13(12)19)14-8-26-16(23-14)24-15(25)10-2-1-3-11(6-10)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyUBJHHDWMSBLZSA-UHFFFAOYSA-N
MW417.24 g/mol
LogP6.39
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 2557251) has the molecular formula C17H9Cl2F3N2OS and a molecular weight of 417.24 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID2557251
Molecular FormulaC17H9Cl2F3N2OS
Molecular Weight417.24 g/mol
Exact Mass415.98
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H9Cl2F3N2OS/c18-12-5-4-9(7-13(12)19)14-8-26-16(23-14)24-15(25)10-2-1-3-11(6-10)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyUBJHHDWMSBLZSA-UHFFFAOYSA-N
XLogP6.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.24
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094787
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 2557251) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is UBJHHDWMSBLZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N2OS/c18-12-5-4-9(7-13(12)19)14-8-26-16(23-14)24-15(25)10-2-1-3-11(6-10)17(20,21)22/h1-8H,(H,23,24,25).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 417.24 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2557251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).