5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine

C6H3BrFN3S — CID 171486881

IUPAC5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2cc(F)c(Br)nc2s1
InChIInChI=1S/C6H3BrFN3S/c7-4-2(8)1-3-5(11-4)12-6(9)10-3/h1H,(H2,9,10)
InChIKeyXHVXFYWAWRDAQG-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.18
Rot. Bonds

About 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine

5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 171486881) has the molecular formula C6H3BrFN3S and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID171486881
Molecular FormulaC6H3BrFN3S
Molecular Weight248.08 g/mol
Exact Mass246.92
IUPAC Name5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESNc1nc2cc(F)c(Br)nc2s1
InChIInChI=1S/C6H3BrFN3S/c7-4-2(8)1-3-5(11-4)12-6(9)10-3/h1H,(H2,9,10)
InChIKeyXHVXFYWAWRDAQG-UHFFFAOYSA-N
XLogP2.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-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 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 171486881) is 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine is Nc1nc2cc(F)c(Br)nc2s1.
What is the InChIKey of 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is XHVXFYWAWRDAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFN3S/c7-4-2(8)1-3-5(11-4)12-6(9)10-3/h1H,(H2,9,10).
What are the key properties of 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine?
5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 248.08 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 171486881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).