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

C9H11BrN2S — CID 115335190

IUPAC6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
SMILESCC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C9H11BrN2S/c1-7(5-10)4-8-6-12-2-3-13-9(12)11-8/h2-3,6-7H,4-5H2,1H3
InChIKeyDGYKJTAAGVQUIR-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.97
Rot. Bonds3

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

6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 115335190) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
PubChem CID115335190
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
SMILESCC(CBr)Cc1cn2ccsc2n1
InChIInChI=1S/C9H11BrN2S/c1-7(5-10)4-8-6-12-2-3-13-9(12)11-8/h2-3,6-7H,4-5H2,1H3
InChIKeyDGYKJTAAGVQUIR-UHFFFAOYSA-N
XLogP2.97
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
N-tert-butyl-4-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-1-amine
CID 113289512
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
CID 115334174
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-ol
CID 115333283
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
6-[2-(bromomethyl)-3-(4-bromophenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335201
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfanylpropan-2-ol
CID 115333257
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole (CID 115335190) is 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole is CC(CBr)Cc1cn2ccsc2n1.
What is the InChIKey of 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is DGYKJTAAGVQUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c1-7(5-10)4-8-6-12-2-3-13-9(12)11-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole?
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 259.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).