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

C5H3BrN2O3S2 — CID 14422476

IUPAC6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid
SMILESO=S(=O)(O)c1c(Br)nc2sccn12
InChIInChI=1S/C5H3BrN2O3S2/c6-3-4(13(9,10)11)8-1-2-12-5(8)7-3/h1-2H,(H,9,10,11)
InChIKeyFBJJVQIPRUONDZ-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.40
Rot. Bonds1

About 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid

6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid (PubChem CID 14422476) has the molecular formula C5H3BrN2O3S2 and a molecular weight of 283.13 g/mol. Its IUPAC name is 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid.

Molecular Properties

Compound Name6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid
PubChem CID14422476
Molecular FormulaC5H3BrN2O3S2
Molecular Weight283.13 g/mol
Exact Mass281.88
IUPAC Name6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid
SMILESO=S(=O)(O)c1c(Br)nc2sccn12
InChIInChI=1S/C5H3BrN2O3S2/c6-3-4(13(9,10)11)8-1-2-12-5(8)7-3/h1-2H,(H,9,10,11)
InChIKeyFBJJVQIPRUONDZ-UHFFFAOYSA-N
XLogP1.40
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic 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

6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
CID 25267672
6-amino-N,N-dimethylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62150681
N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455
6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145089
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 14422482
6-chloro-N-(2,5-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61047006
6-amino-N-(2,4-dibromophenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62151548
N-ethyl-6-(ethylamino)-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146362
5-piperidin-1-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62143175
2-[(6-aminoimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]propanamide
CID 62146624
N-ethyl-6-(ethylamino)-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55043775
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The IUPAC name of 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid (CID 14422476) is 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid.
What is the SMILES notation for 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The canonical SMILES for 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid is O=S(=O)(O)c1c(Br)nc2sccn12.
What is the InChIKey of 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
The InChIKey is FBJJVQIPRUONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O3S2/c6-3-4(13(9,10)11)8-1-2-12-5(8)7-3/h1-2H,(H,9,10,11).
What are the key properties of 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid?
6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid has a molecular weight of 283.13 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonic acid is sourced from PubChem (CID 14422476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).