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

C7H3BrFNS — CID 90417854

IUPAC4-bromo-6-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)c2ncsc2c1
InChIInChI=1S/C7H3BrFNS/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H
InChIKeyVKTNPQRPHUPHSO-UHFFFAOYSA-N
MW232.08 g/mol
LogP3.20
Rot. Bonds

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

4-bromo-6-fluoro-1,3-benzothiazole (PubChem CID 90417854) has the molecular formula C7H3BrFNS and a molecular weight of 232.08 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name4-bromo-6-fluoro-1,3-benzothiazole
PubChem CID90417854
Molecular FormulaC7H3BrFNS
Molecular Weight232.08 g/mol
Exact Mass230.92
IUPAC Name4-bromo-6-fluoro-1,3-benzothiazole
SMILESFc1cc(Br)c2ncsc2c1
InChIInChI=1S/C7H3BrFNS/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H
InChIKeyVKTNPQRPHUPHSO-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1,3-benzothiazole?
The IUPAC name of 4-bromo-6-fluoro-1,3-benzothiazole (CID 90417854) is 4-bromo-6-fluoro-1,3-benzothiazole.
What is the SMILES notation for 4-bromo-6-fluoro-1,3-benzothiazole?
The canonical SMILES for 4-bromo-6-fluoro-1,3-benzothiazole is Fc1cc(Br)c2ncsc2c1.
What is the InChIKey of 4-bromo-6-fluoro-1,3-benzothiazole?
The InChIKey is VKTNPQRPHUPHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNS/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H.
What are the key properties of 4-bromo-6-fluoro-1,3-benzothiazole?
4-bromo-6-fluoro-1,3-benzothiazole has a molecular weight of 232.08 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1,3-benzothiazole is sourced from PubChem (CID 90417854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).