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

C11H5BrF4N2OS — CID 78863689

IUPAC4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C11H5BrF4N2OS/c12-5-1-2-6(7(13)3-5)9(19)18-10-17-8(4-20-10)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyVWFHQWOZRJEZOR-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.32
Rot. Bonds2

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

4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 78863689) has the molecular formula C11H5BrF4N2OS and a molecular weight of 369.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID78863689
Molecular FormulaC11H5BrF4N2OS
Molecular Weight369.14 g/mol
Exact Mass367.92
IUPAC Name4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Br)cc1F
InChIInChI=1S/C11H5BrF4N2OS/c12-5-1-2-6(7(13)3-5)9(19)18-10-17-8(4-20-10)11(14,15)16/h1-4H,(H,17,18,19)
InChIKeyVWFHQWOZRJEZOR-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
CID 18139574
2-hydroxy-4-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78865648
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
4-methylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78863489
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide (CID 78863689) is 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VWFHQWOZRJEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF4N2OS/c12-5-1-2-6(7(13)3-5)9(19)18-10-17-8(4-20-10)11(14,15)16/h1-4H,(H,17,18,19).
What are the key properties of 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide?
4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 369.14 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 78863689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).