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

C11H13BrN2O2S2 — CID 76850316

IUPAC6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCCCS(=O)(=O)c1nc2nc(C)c(Br)cc2s1
InChIInChI=1S/C11H13BrN2O2S2/c1-3-4-5-18(15,16)11-14-10-9(17-11)6-8(12)7(2)13-10/h6H,3-5H2,1-2H3
InChIKeyVYQONMOIZVVMAA-UHFFFAOYSA-N
MW349.28 g/mol
LogP3.34
Rot. Bonds4

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

6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850316) has the molecular formula C11H13BrN2O2S2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850316
Molecular FormulaC11H13BrN2O2S2
Molecular Weight349.28 g/mol
Exact Mass347.96
IUPAC Name6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine
SMILESCCCCS(=O)(=O)c1nc2nc(C)c(Br)cc2s1
InChIInChI=1S/C11H13BrN2O2S2/c1-3-4-5-18(15,16)11-14-10-9(17-11)6-8(12)7(2)13-10/h6H,3-5H2,1-2H3
InChIKeyVYQONMOIZVVMAA-UHFFFAOYSA-N
XLogP3.34
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-butylsulfonyl-5-methyl-[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 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine (CID 76850316) is 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine is CCCCS(=O)(=O)c1nc2nc(C)c(Br)cc2s1.
What is the InChIKey of 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is VYQONMOIZVVMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S2/c1-3-4-5-18(15,16)11-14-10-9(17-11)6-8(12)7(2)13-10/h6H,3-5H2,1-2H3.
What are the key properties of 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine?
6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 349.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butylsulfonyl-5-methyl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).