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

C6H5BrN2S — CID 699727

IUPAC6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
SMILESBrCc1cn2ccsc2n1
InChIInChI=1S/C6H5BrN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2
InChIKeyVMKPKJCYGJDZBF-UHFFFAOYSA-N
MW217.09 g/mol
LogP2.29
Rot. Bonds1

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

6-(bromomethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 699727) has the molecular formula C6H5BrN2S and a molecular weight of 217.09 g/mol. Its IUPAC name is 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID699727
Molecular FormulaC6H5BrN2S
Molecular Weight217.09 g/mol
Exact Mass215.94
IUPAC Name6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
SMILESBrCc1cn2ccsc2n1
InChIInChI=1S/C6H5BrN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2
InChIKeyVMKPKJCYGJDZBF-UHFFFAOYSA-N
XLogP2.29
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole (CID 699727) is 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole is BrCc1cn2ccsc2n1.
What is the InChIKey of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VMKPKJCYGJDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2S/c7-3-5-4-9-1-2-10-6(9)8-5/h1-2,4H,3H2.
What are the key properties of 6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
6-(bromomethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 217.09 g/mol, XLogP of 2.29, 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 is sourced from PubChem (CID 699727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).