2-bromo-4-chloro-6-fluoro-1,3-benzothiazole

C7H2BrClFNS — CID 53440789

IUPAC2-bromo-4-chloro-6-fluoro-1,3-benzothiazole
SMILESFc1cc(Cl)c2nc(Br)sc2c1
InChIInChI=1S/C7H2BrClFNS/c8-7-11-6-4(9)1-3(10)2-5(6)12-7/h1-2H
InChIKeyAAXRLDRHGUUDDL-UHFFFAOYSA-N
MW266.52 g/mol
LogP3.85
Rot. Bonds

About 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole

2-bromo-4-chloro-6-fluoro-1,3-benzothiazole (PubChem CID 53440789) has the molecular formula C7H2BrClFNS and a molecular weight of 266.52 g/mol. Its IUPAC name is 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-bromo-4-chloro-6-fluoro-1,3-benzothiazole
PubChem CID53440789
Molecular FormulaC7H2BrClFNS
Molecular Weight266.52 g/mol
Exact Mass264.88
IUPAC Name2-bromo-4-chloro-6-fluoro-1,3-benzothiazole
SMILESFc1cc(Cl)c2nc(Br)sc2c1
InChIInChI=1S/C7H2BrClFNS/c8-7-11-6-4(9)1-3(10)2-5(6)12-7/h1-2H
InChIKeyAAXRLDRHGUUDDL-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole?
The IUPAC name of 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole (CID 53440789) is 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole is Fc1cc(Cl)c2nc(Br)sc2c1.
What is the InChIKey of 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole?
The InChIKey is AAXRLDRHGUUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNS/c8-7-11-6-4(9)1-3(10)2-5(6)12-7/h1-2H.
What are the key properties of 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole?
2-bromo-4-chloro-6-fluoro-1,3-benzothiazole has a molecular weight of 266.52 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 53440789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).