2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide

C8H4BrFN4OS — CID 114912800

IUPAC2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(F)cc1Br
InChIInChI=1S/C8H4BrFN4OS/c9-6-3-4(10)1-2-5(6)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyJLERIFWYJAAWLA-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.09
Rot. Bonds2

About 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide

2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide (PubChem CID 114912800) has the molecular formula C8H4BrFN4OS and a molecular weight of 303.12 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
PubChem CID114912800
Molecular FormulaC8H4BrFN4OS
Molecular Weight303.12 g/mol
Exact Mass301.93
IUPAC Name2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(F)cc1Br
InChIInChI=1S/C8H4BrFN4OS/c9-6-3-4(10)1-2-5(6)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyJLERIFWYJAAWLA-UHFFFAOYSA-N
XLogP2.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dibromo-N-(thiatriazol-5-yl)benzamide
CID 107953571
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759
4-bromo-N-(thiatriazol-5-yl)thiophene-3-carboxamide
CID 164656698
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114913838
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
2-bromo-N-(thiatriazol-5-yl)furan-3-carboxamide
CID 106854440
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-amino-N-(thiatriazol-5-yl)-5-(trifluoromethyl)benzamide
CID 114914384

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide (CID 114912800) is 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is JLERIFWYJAAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN4OS/c9-6-3-4(10)1-2-5(6)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15).
What are the key properties of 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide?
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide has a molecular weight of 303.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114912800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).