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

C6H4Br2N2S — CID 14342846

IUPAC5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
SMILESBrCc1nc2sccn2c1Br
InChIInChI=1S/C6H4Br2N2S/c7-3-4-5(8)10-1-2-11-6(10)9-4/h1-2H,3H2
InChIKeyKFSKLYHWVQKWKI-UHFFFAOYSA-N
MW295.99 g/mol
LogP3.05
Rot. Bonds1

About 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole

5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 14342846) has the molecular formula C6H4Br2N2S and a molecular weight of 295.99 g/mol. Its IUPAC name is 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID14342846
Molecular FormulaC6H4Br2N2S
Molecular Weight295.99 g/mol
Exact Mass293.85
IUPAC Name5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole
SMILESBrCc1nc2sccn2c1Br
InChIInChI=1S/C6H4Br2N2S/c7-3-4-5(8)10-1-2-11-6(10)9-4/h1-2H,3H2
InChIKeyKFSKLYHWVQKWKI-UHFFFAOYSA-N
XLogP3.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.99
LogP ≤ 53.05
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 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole (CID 14342846) is 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole is BrCc1nc2sccn2c1Br.
What is the InChIKey of 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is KFSKLYHWVQKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N2S/c7-3-4-5(8)10-1-2-11-6(10)9-4/h1-2H,3H2.
What are the key properties of 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole?
5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 295.99 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(bromomethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 14342846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).