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

C8H5BrN2O2S — CID 83668907

IUPAC3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2nsc(Br)c2cc1C(=O)O
InChIInChI=1S/C8H5BrN2O2S/c1-3-4(8(12)13)2-5-6(9)14-11-7(5)10-3/h2H,1H3,(H,12,13)
InChIKeyUXQMQVLWXNZBPW-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.46
Rot. Bonds1

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

3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 83668907) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID83668907
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCc1nc2nsc(Br)c2cc1C(=O)O
InChIInChI=1S/C8H5BrN2O2S/c1-3-4(8(12)13)2-5-6(9)14-11-7(5)10-3/h2H,1H3,(H,12,13)
InChIKeyUXQMQVLWXNZBPW-UHFFFAOYSA-N
XLogP2.46
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
3-methyl-1,2-benzothiazole-7-carboxylic acid
CID 83818286
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
CID 112692937
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
CID 164893881
6-bromo-4-chloro-2,3-dimethylquinoline-8-carboxylic acid
CID 175016317
2-methylpyridine-3,5-dicarboxylic acid;dihydrochloride
CID 175154002
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
5-chloro-6-formyl-2-methylpyridine-3-carboxylic acid
CID 175538652

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid (CID 83668907) is 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid is Cc1nc2nsc(Br)c2cc1C(=O)O.
What is the InChIKey of 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is UXQMQVLWXNZBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c1-3-4(8(12)13)2-5-6(9)14-11-7(5)10-3/h2H,1H3,(H,12,13).
What are the key properties of 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid?
3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-[1,2]thiazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 83668907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).