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

C7H4BrFN2S — CID 126673815

IUPAC5-bromo-7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(Br)cc(F)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyRKMSIRMCSJHDHZ-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.78
Rot. Bonds

About 5-bromo-7-fluoro-1,3-benzothiazol-2-amine

5-bromo-7-fluoro-1,3-benzothiazol-2-amine (PubChem CID 126673815) has the molecular formula C7H4BrFN2S and a molecular weight of 247.09 g/mol. Its IUPAC name is 5-bromo-7-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-7-fluoro-1,3-benzothiazol-2-amine
PubChem CID126673815
Molecular FormulaC7H4BrFN2S
Molecular Weight247.09 g/mol
Exact Mass245.93
IUPAC Name5-bromo-7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(Br)cc(F)c2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyRKMSIRMCSJHDHZ-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 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine (CID 126673815) is 5-bromo-7-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-7-fluoro-1,3-benzothiazol-2-amine is Nc1nc2cc(Br)cc(F)c2s1.
What is the InChIKey of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is RKMSIRMCSJHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11).
What are the key properties of 5-bromo-7-fluoro-1,3-benzothiazol-2-amine?
5-bromo-7-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 5-bromo-7-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126673815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).