5-bromo-2-(trifluoromethyl)-1,3-benzothiazole

C8H3BrF3NS — CID 54181426

IUPAC5-bromo-2-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1nc2cc(Br)ccc2s1
InChIInChI=1S/C8H3BrF3NS/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3H
InChIKeyPCBUUCFVQZTWRU-UHFFFAOYSA-N
MW282.08 g/mol
LogP4.08
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole

5-bromo-2-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 54181426) has the molecular formula C8H3BrF3NS and a molecular weight of 282.08 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)-1,3-benzothiazole
PubChem CID54181426
Molecular FormulaC8H3BrF3NS
Molecular Weight282.08 g/mol
Exact Mass280.91
IUPAC Name5-bromo-2-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1nc2cc(Br)ccc2s1
InChIInChI=1S/C8H3BrF3NS/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3H
InChIKeyPCBUUCFVQZTWRU-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole (CID 54181426) is 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is PCBUUCFVQZTWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NS/c9-4-1-2-6-5(3-4)13-7(14-6)8(10,11)12/h1-3H.
What are the key properties of 5-bromo-2-(trifluoromethyl)-1,3-benzothiazole?
5-bromo-2-(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-2-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 54181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).