6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide

C6H6Br2N2S — CID 44654521

IUPAC6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.BrCc1cn2ccsc2n1
InChIInChI=1S/C6H5BrN2S.BrH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H
InChIKeyXINQGNGWQODEQU-UHFFFAOYSA-N
MW298.00 g/mol
LogP2.87
Rot. Bonds1

About 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide

6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 44654521) has the molecular formula C6H6Br2N2S and a molecular weight of 298.00 g/mol. Its IUPAC name is 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID44654521
Molecular FormulaC6H6Br2N2S
Molecular Weight298.00 g/mol
Exact Mass295.86
IUPAC Name6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.BrCc1cn2ccsc2n1
InChIInChI=1S/C6H5BrN2S.BrH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H
InChIKeyXINQGNGWQODEQU-UHFFFAOYSA-N
XLogP2.87
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.00
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide 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-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide (CID 44654521) is 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide is Br.BrCc1cn2ccsc2n1.
What is the InChIKey of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is XINQGNGWQODEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2S.BrH/c7-3-5-4-9-1-2-10-6(9)8-5;/h1-2,4H,3H2;1H.
What are the key properties of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide?
6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 298.00 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 44654521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).