5-bromo-7-(trifluoromethyl)-1,3-benzothiazole

C8H3BrF3NS — CID 154340233

IUPAC5-bromo-7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cc(Br)cc2ncsc12
InChIInChI=1S/C8H3BrF3NS/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H
InChIKeyZJLLZRGSJCBWNH-UHFFFAOYSA-N
MW282.08 g/mol
LogP4.08
Rot. Bonds

About 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole

5-bromo-7-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 154340233) has the molecular formula C8H3BrF3NS and a molecular weight of 282.08 g/mol. Its IUPAC name is 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-bromo-7-(trifluoromethyl)-1,3-benzothiazole
PubChem CID154340233
Molecular FormulaC8H3BrF3NS
Molecular Weight282.08 g/mol
Exact Mass280.91
IUPAC Name5-bromo-7-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cc(Br)cc2ncsc12
InChIInChI=1S/C8H3BrF3NS/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H
InChIKeyZJLLZRGSJCBWNH-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromobenzothiazole
CID 3610155
4-Bromo-7-methyl-1,3-benzothiazole
CID 118833178
7-Methylbenzo[d]thiazole
CID 15655022
7-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1,3-benzothiazole
CID 22625182
5,7-Bis(trifluoromethyl)-1,3-benzothiazole
CID 23043720
7-(Trifluoromethyl)benzo[d]thiazole
CID 23323202
5-Bromo-6-(difluoromethyl)-1,3-benzothiazole
CID 90774626
6-Bromo-5-(difluoromethyl)-1,3-benzothiazole
CID 91197212
2-Bromo-7-(trifluoromethyl)benzo[d]thiazole
CID 91810913
5-Bromo-7-(4-fluorophenyl)-1,3-benzothiazole-2-carbonitrile
CID 121428021
[5-Bromo-7-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanamine
CID 121428234
5-Bromo-7-(trifluoromethyl)-1,3-benzothiazole-2-carbonitrile
CID 121428235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole (CID 154340233) is 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cc(Br)cc2ncsc12.
What is the InChIKey of 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is ZJLLZRGSJCBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NS/c9-4-1-5(8(10,11)12)7-6(2-4)13-3-14-7/h1-3H.
What are the key properties of 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole?
5-bromo-7-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 282.08 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 154340233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).