3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C6H3BrN2O2S — CID 118704521

IUPAC3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2scc(Br)n12
InChIInChI=1S/C6H3BrN2O2S/c7-4-2-12-6-8-1-3(5(10)11)9(4)6/h1-2H,(H,10,11)
InChIKeyDIJATLZAOGMHST-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.86
Rot. Bonds1

About 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 118704521) has the molecular formula C6H3BrN2O2S and a molecular weight of 247.07 g/mol. Its IUPAC name is 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID118704521
Molecular FormulaC6H3BrN2O2S
Molecular Weight247.07 g/mol
Exact Mass245.91
IUPAC Name3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc2scc(Br)n12
InChIInChI=1S/C6H3BrN2O2S/c7-4-2-12-6-8-1-3(5(10)11)9(4)6/h1-2H,(H,10,11)
InChIKeyDIJATLZAOGMHST-UHFFFAOYSA-N
XLogP1.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromoimidazo[2,1-b][1,3]thiazole-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

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 118704521) is 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is O=C(O)c1cnc2scc(Br)n12.
What is the InChIKey of 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is DIJATLZAOGMHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O2S/c7-4-2-12-6-8-1-3(5(10)11)9(4)6/h1-2H,(H,10,11).
What are the key properties of 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 247.07 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 118704521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).