6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine

C7H5BrN2S — CID 56923657

IUPAC6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2cc(Br)cnc2s1
InChIInChI=1S/C7H5BrN2S/c1-4-10-6-2-5(8)3-9-7(6)11-4/h2-3H,1H3
InChIKeyOSJMMGGVXKKBHV-UHFFFAOYSA-N
MW229.10 g/mol
LogP2.76
Rot. Bonds

About 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine

6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 56923657) has the molecular formula C7H5BrN2S and a molecular weight of 229.10 g/mol. Its IUPAC name is 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID56923657
Molecular FormulaC7H5BrN2S
Molecular Weight229.10 g/mol
Exact Mass227.94
IUPAC Name6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCc1nc2cc(Br)cnc2s1
InChIInChI=1S/C7H5BrN2S/c1-4-10-6-2-5(8)3-9-7(6)11-4/h2-3H,1H3
InChIKeyOSJMMGGVXKKBHV-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine (CID 56923657) is 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine is Cc1nc2cc(Br)cnc2s1.
What is the InChIKey of 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is OSJMMGGVXKKBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S/c1-4-10-6-2-5(8)3-9-7(6)11-4/h2-3H,1H3.
What are the key properties of 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine?
6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 229.10 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 56923657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).