7-bromo-[1,3]thiazolo[4,5-b]pyridine

C6H3BrN2S — CID 83835576

IUPAC7-bromo-[1,3]thiazolo[4,5-b]pyridine
SMILESBrc1ccnc2ncsc12
InChIInChI=1S/C6H3BrN2S/c7-4-1-2-8-6-5(4)10-3-9-6/h1-3H
InChIKeyXFSALLFRFKYYPV-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.45
Rot. Bonds

About 7-bromo-[1,3]thiazolo[4,5-b]pyridine

7-bromo-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 83835576) has the molecular formula C6H3BrN2S and a molecular weight of 215.08 g/mol. Its IUPAC name is 7-bromo-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-[1,3]thiazolo[4,5-b]pyridine
PubChem CID83835576
Molecular FormulaC6H3BrN2S
Molecular Weight215.08 g/mol
Exact Mass213.92
IUPAC Name7-bromo-[1,3]thiazolo[4,5-b]pyridine
SMILESBrc1ccnc2ncsc12
InChIInChI=1S/C6H3BrN2S/c7-4-1-2-8-6-5(4)10-3-9-6/h1-3H
InChIKeyXFSALLFRFKYYPV-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-[1,3]thiazolo[4,5-b]pyridine 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 7-bromo-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 7-bromo-[1,3]thiazolo[4,5-b]pyridine (CID 83835576) is 7-bromo-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-[1,3]thiazolo[4,5-b]pyridine is Brc1ccnc2ncsc12.
What is the InChIKey of 7-bromo-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is XFSALLFRFKYYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S/c7-4-1-2-8-6-5(4)10-3-9-6/h1-3H.
What are the key properties of 7-bromo-[1,3]thiazolo[4,5-b]pyridine?
7-bromo-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 215.08 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 83835576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).