7-bromo-5-fluoro-2-methyl-1,3-benzothiazole

C8H5BrFNS — CID 130063304

IUPAC7-bromo-5-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(F)cc(Br)c2s1
InChIInChI=1S/C8H5BrFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3
InChIKeyLIIUIIHIFPGBEN-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.51
Rot. Bonds

About 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole

7-bromo-5-fluoro-2-methyl-1,3-benzothiazole (PubChem CID 130063304) has the molecular formula C8H5BrFNS and a molecular weight of 246.10 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-bromo-5-fluoro-2-methyl-1,3-benzothiazole
PubChem CID130063304
Molecular FormulaC8H5BrFNS
Molecular Weight246.10 g/mol
Exact Mass244.93
IUPAC Name7-bromo-5-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(F)cc(Br)c2s1
InChIInChI=1S/C8H5BrFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3
InChIKeyLIIUIIHIFPGBEN-UHFFFAOYSA-N
XLogP3.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole?
The IUPAC name of 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole (CID 130063304) is 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole is Cc1nc2cc(F)cc(Br)c2s1.
What is the InChIKey of 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole?
The InChIKey is LIIUIIHIFPGBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3.
What are the key properties of 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole?
7-bromo-5-fluoro-2-methyl-1,3-benzothiazole has a molecular weight of 246.10 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).