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

C7H2BrClFNS — CID 58470056

IUPAC6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2sc(Cl)nc12
InChIInChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H
InChIKeyBTYMVNZOAAXVQP-UHFFFAOYSA-N
MW266.52 g/mol
LogP3.85
Rot. Bonds

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

6-bromo-2-chloro-4-fluoro-1,3-benzothiazole (PubChem CID 58470056) has the molecular formula C7H2BrClFNS and a molecular weight of 266.52 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
PubChem CID58470056
Molecular FormulaC7H2BrClFNS
Molecular Weight266.52 g/mol
Exact Mass264.88
IUPAC Name6-bromo-2-chloro-4-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)cc2sc(Cl)nc12
InChIInChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H
InChIKeyBTYMVNZOAAXVQP-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole (CID 58470056) is 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole is Fc1cc(Br)cc2sc(Cl)nc12.
What is the InChIKey of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
The InChIKey is BTYMVNZOAAXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNS/c8-3-1-4(10)6-5(2-3)12-7(9)11-6/h1-2H.
What are the key properties of 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole?
6-bromo-2-chloro-4-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 6-bromo-2-chloro-4-fluoro-1,3-benzothiazole is sourced from PubChem (CID 58470056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).