7-bromo-6-fluoro-1,3-benzothiazol-2-amine

C7H4BrFN2S — CID 22720417

IUPAC7-bromo-6-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(F)c(Br)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-5-3(9)1-2-4-6(5)12-7(10)11-4/h1-2H,(H2,10,11)
InChIKeyNMGGDXKBEWQJGI-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.78
Rot. Bonds

About 7-bromo-6-fluoro-1,3-benzothiazol-2-amine

7-bromo-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 22720417) has the molecular formula C7H4BrFN2S and a molecular weight of 247.09 g/mol. Its IUPAC name is 7-bromo-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-bromo-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID22720417
Molecular FormulaC7H4BrFN2S
Molecular Weight247.09 g/mol
Exact Mass245.93
IUPAC Name7-bromo-6-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(F)c(Br)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-5-3(9)1-2-4-6(5)12-7(10)11-4/h1-2H,(H2,10,11)
InChIKeyNMGGDXKBEWQJGI-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-bromo-6-fluoro-1,3-benzothiazol-2-amine (CID 22720417) is 7-bromo-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-bromo-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-bromo-6-fluoro-1,3-benzothiazol-2-amine is Nc1nc2ccc(F)c(Br)c2s1.
What is the InChIKey of 7-bromo-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is NMGGDXKBEWQJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S/c8-5-3(9)1-2-4-6(5)12-7(10)11-4/h1-2H,(H2,10,11).
What are the key properties of 7-bromo-6-fluoro-1,3-benzothiazol-2-amine?
7-bromo-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 247.09 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 22720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).