2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol

C13H7BrFNOS — CID 136789792

IUPAC2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc2cc(Br)ccc2s1
InChIInChI=1S/C13H7BrFNOS/c14-7-4-5-11-9(6-7)16-13(18-11)12-8(15)2-1-3-10(12)17/h1-6,17H
InChIKeyKCYHJNCLSUYKKO-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.57
Rot. Bonds1

About 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol

2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol (PubChem CID 136789792) has the molecular formula C13H7BrFNOS and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol.

Molecular Properties

Compound Name2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
PubChem CID136789792
Molecular FormulaC13H7BrFNOS
Molecular Weight324.17 g/mol
Exact Mass322.94
IUPAC Name2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol
SMILESOc1cccc(F)c1-c1nc2cc(Br)ccc2s1
InChIInChI=1S/C13H7BrFNOS/c14-7-4-5-11-9(6-7)16-13(18-11)12-8(15)2-1-3-10(12)17/h1-6,17H
InChIKeyKCYHJNCLSUYKKO-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

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Related Compounds

3-fluoro-2-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136789802
2-amino-5-(5-bromo-1,3-benzothiazol-2-yl)phenol
CID 60837711
6-bromo-2-(2,3,4,5,6-pentafluorophenyl)-1,3-benzothiazole
CID 91678559
5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 112730271
[3-fluoro-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135066864
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
5-(5-bromo-1,3-benzothiazol-2-yl)benzene-1,3-diamine
CID 107811559
2-(2,6-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470349
2-[4-(5-bromo-1,3-benzothiazol-2-yl)imidazol-1-yl]ethanamine
CID 107495956
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol?
The IUPAC name of 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol (CID 136789792) is 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol.
What is the SMILES notation for 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol?
The canonical SMILES for 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol is Oc1cccc(F)c1-c1nc2cc(Br)ccc2s1.
What is the InChIKey of 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol?
The InChIKey is KCYHJNCLSUYKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNOS/c14-7-4-5-11-9(6-7)16-13(18-11)12-8(15)2-1-3-10(12)17/h1-6,17H.
What are the key properties of 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol?
2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol 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 2-(5-bromo-1,3-benzothiazol-2-yl)-3-fluorophenol is sourced from PubChem (CID 136789792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).