2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol

C7H2BrClFNOS — CID 134180701

IUPAC2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol
SMILESOc1cc2sc(Br)nc2c(Cl)c1F
InChIInChI=1S/C7H2BrClFNOS/c8-7-11-6-3(13-7)1-2(12)5(10)4(6)9/h1,12H
InChIKeyKPUUHJOQIVVJJQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP3.56
Rot. Bonds

About 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol

2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol (PubChem CID 134180701) has the molecular formula C7H2BrClFNOS and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol
PubChem CID134180701
Molecular FormulaC7H2BrClFNOS
Molecular Weight282.52 g/mol
Exact Mass280.87
IUPAC Name2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol
SMILESOc1cc2sc(Br)nc2c(Cl)c1F
InChIInChI=1S/C7H2BrClFNOS/c8-7-11-6-3(13-7)1-2(12)5(10)4(6)9/h1,12H
InChIKeyKPUUHJOQIVVJJQ-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol (CID 134180701) is 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol is Oc1cc2sc(Br)nc2c(Cl)c1F.
What is the InChIKey of 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol?
The InChIKey is KPUUHJOQIVVJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNOS/c8-7-11-6-3(13-7)1-2(12)5(10)4(6)9/h1,12H.
What are the key properties of 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol?
2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol has a molecular weight of 282.52 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-5-fluoro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 134180701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).