7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol

C13H7BrFNOS — CID 173447118

IUPAC7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccccc3F)nsc2c1Br
InChIInChI=1S/C13H7BrFNOS/c14-11-10(17)6-5-8-12(16-18-13(8)11)7-3-1-2-4-9(7)15/h1-6,17H
InChIKeyFJXKPWIIJPPTGY-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.57
Rot. Bonds1

About 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol

7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol (PubChem CID 173447118) has the molecular formula C13H7BrFNOS and a molecular weight of 324.17 g/mol. Its IUPAC name is 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol.

Molecular Properties

Compound Name7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol
PubChem CID173447118
Molecular FormulaC13H7BrFNOS
Molecular Weight324.17 g/mol
Exact Mass322.94
IUPAC Name7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol
SMILESOc1ccc2c(-c3ccccc3F)nsc2c1Br
InChIInChI=1S/C13H7BrFNOS/c14-11-10(17)6-5-8-12(16-18-13(8)11)7-3-1-2-4-9(7)15/h1-6,17H
InChIKeyFJXKPWIIJPPTGY-UHFFFAOYSA-N
XLogP4.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trifluoro-methanesulfonic acid 3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yl ester
CID 57428076
3-(4-Fluoro-phenyl)-benzo[d]isothiazol-6-ol
CID 135847953
3-(4-Trifluoromethyl-phenyl)-benzo[d]isothiazol-6-ol
CID 135847955
3-(2-Fluoropropan-2-yl)-1,2-benzothiazol-6-ol
CID 136326865
3-Cyclohexyl-1,2-benzisothiazol-6-ol
CID 135736098
3-(4-Bromo-phenyl)-benzo[d]isothiazol-6-ol
CID 135847952
4-(6-Bromo-1,2-benzothiazol-3-yl)phenol
CID 136440066
7-Bromo-1,2-benzothiazol-6-ol
CID 137255826
3-(Bromomethyl)-1,2-benzothiazol-6-ol
CID 165955797

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol?
The IUPAC name of 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol (CID 173447118) is 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol.
What is the SMILES notation for 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol?
The canonical SMILES for 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol is Oc1ccc2c(-c3ccccc3F)nsc2c1Br.
What is the InChIKey of 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol?
The InChIKey is FJXKPWIIJPPTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNOS/c14-11-10(17)6-5-8-12(16-18-13(8)11)7-3-1-2-4-9(7)15/h1-6,17H.
What are the key properties of 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol?
7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol has a molecular weight of 324.17 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-fluorophenyl)-1,2-benzothiazol-6-ol is sourced from PubChem (CID 173447118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).