6-bromo-4-fluoro-1,3-benzothiazol-2-amine

C7H4BrFN2S — CID 3660672

IUPAC6-bromo-4-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(F)cc(Br)cc2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKeyUTJKGZXNIBEVEF-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.78
Rot. Bonds

About 6-bromo-4-fluoro-1,3-benzothiazol-2-amine

6-bromo-4-fluoro-1,3-benzothiazol-2-amine (PubChem CID 3660672) has the molecular formula C7H4BrFN2S and a molecular weight of 247.09 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-4-fluoro-1,3-benzothiazol-2-amine
PubChem CID3660672
Molecular FormulaC7H4BrFN2S
Molecular Weight247.09 g/mol
Exact Mass245.93
IUPAC Name6-bromo-4-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(F)cc(Br)cc2s1
InChIInChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11)
InChIKeyUTJKGZXNIBEVEF-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

Analyze 6-bromo-4-fluoro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-4-fluoro-1,3-benzothiazol-2-amine (CID 3660672) is 6-bromo-4-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-4-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-4-fluoro-1,3-benzothiazol-2-amine is Nc1nc2c(F)cc(Br)cc2s1.
What is the InChIKey of 6-bromo-4-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is UTJKGZXNIBEVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,(H2,10,11).
What are the key properties of 6-bromo-4-fluoro-1,3-benzothiazol-2-amine?
6-bromo-4-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 6-bromo-4-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3660672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).