3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

C17H9BrClF3N2OS — CID 146094787

IUPAC3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H9BrClF3N2OS/c18-12-7-10(4-5-13(12)19)15(25)24-16-23-14(8-26-16)9-2-1-3-11(6-9)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyHPMUNWPYUIABRA-UHFFFAOYSA-N
MW461.69 g/mol
LogP6.50
Rot. Bonds3

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

3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 146094787) has the molecular formula C17H9BrClF3N2OS and a molecular weight of 461.69 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID146094787
Molecular FormulaC17H9BrClF3N2OS
Molecular Weight461.69 g/mol
Exact Mass459.93
IUPAC Name3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H9BrClF3N2OS/c18-12-7-10(4-5-13(12)19)15(25)24-16-23-14(8-26-16)9-2-1-3-11(6-9)17(20,21)22/h1-8H,(H,23,24,25)
InChIKeyHPMUNWPYUIABRA-UHFFFAOYSA-N
XLogP6.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
3-bromo-5-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 146094788
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47061239
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212
2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 43055333
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
N-(2-chloro-4-methylsulfanylphenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]-1,3-thiazol-4-yl]benzamide
CID 142392037

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 146094787) is 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HPMUNWPYUIABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClF3N2OS/c18-12-7-10(4-5-13(12)19)15(25)24-16-23-14(8-26-16)9-2-1-3-11(6-9)17(20,21)22/h1-8H,(H,23,24,25).
What are the key properties of 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 461.69 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 146094787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).