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

C6H3BrN2S — CID 51063942

IUPAC6-bromo-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1cnc2scnc2c1
InChIInChI=1S/C6H3BrN2S/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyDBDUQNAKRDIQJF-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.45
Rot. Bonds

About 6-bromo-[1,3]thiazolo[5,4-b]pyridine

6-bromo-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 51063942) has the molecular formula C6H3BrN2S and a molecular weight of 215.08 g/mol. Its IUPAC name is 6-bromo-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-bromo-[1,3]thiazolo[5,4-b]pyridine
PubChem CID51063942
Molecular FormulaC6H3BrN2S
Molecular Weight215.08 g/mol
Exact Mass213.92
IUPAC Name6-bromo-[1,3]thiazolo[5,4-b]pyridine
SMILESBrc1cnc2scnc2c1
InChIInChI=1S/C6H3BrN2S/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H
InChIKeyDBDUQNAKRDIQJF-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-bromo-[1,3]thiazolo[5,4-b]pyridine (CID 51063942) is 6-bromo-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-bromo-[1,3]thiazolo[5,4-b]pyridine is Brc1cnc2scnc2c1.
What is the InChIKey of 6-bromo-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is DBDUQNAKRDIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S/c7-4-1-5-6(8-2-4)10-3-9-5/h1-3H.
What are the key properties of 6-bromo-[1,3]thiazolo[5,4-b]pyridine?
6-bromo-[1,3]thiazolo[5,4-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 6-bromo-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 51063942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).