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

C17H10BrF3N2OS — CID 26249519

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10BrF3N2OS/c18-11-7-5-10(6-8-11)14-9-25-16(22-14)23-15(24)12-3-1-2-4-13(12)17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyXBDKEFWLGKLKGV-UHFFFAOYSA-N
MW427.25 g/mol
LogP5.84
Rot. Bonds3

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 26249519) has the molecular formula C17H10BrF3N2OS and a molecular weight of 427.25 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID26249519
Molecular FormulaC17H10BrF3N2OS
Molecular Weight427.25 g/mol
Exact Mass425.96
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H10BrF3N2OS/c18-11-7-5-10(6-8-11)14-9-25-16(22-14)23-15(24)12-3-1-2-4-13(12)17(19,20)21/h1-9H,(H,22,23,24)
InChIKeyXBDKEFWLGKLKGV-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.25
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
2-(trifluoromethyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4857176
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
2-(trifluoromethyl)-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 108754585
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide
CID 16551700
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide (CID 26249519) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is XBDKEFWLGKLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF3N2OS/c18-11-7-5-10(6-8-11)14-9-25-16(22-14)23-15(24)12-3-1-2-4-13(12)17(19,20)21/h1-9H,(H,22,23,24).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 427.25 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 26249519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).