5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole

C13H11BrN2O2S — CID 107087238

IUPAC5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C13H11BrN2O2S/c1-17-9-2-4-10(5-3-9)18-12-11(8-14)16-6-7-19-13(16)15-12/h2-7H,8H2,1H3
InChIKeyVFPHKIXSXOSUHV-UHFFFAOYSA-N
MW339.21 g/mol
LogP4.09
Rot. Bonds4

About 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole

5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107087238) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107087238
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C13H11BrN2O2S/c1-17-9-2-4-10(5-3-9)18-12-11(8-14)16-6-7-19-13(16)15-12/h2-7H,8H2,1H3
InChIKeyVFPHKIXSXOSUHV-UHFFFAOYSA-N
XLogP4.09
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086633
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
5-(bromomethyl)-N-(4-methoxyphenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 107082506
5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
CID 43476188
[4-[5-(hydroxymethyl)imidazo[2,1-b][1,3]thiazol-6-yl]oxyphenyl]methanol
CID 61229919
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
2-[6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802425
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
[6-(2,6-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476612
1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 83135479
5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088927

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole (CID 107087238) is 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole is COc1ccc(Oc2nc3sccn3c2CBr)cc1.
What is the InChIKey of 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is VFPHKIXSXOSUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-17-9-2-4-10(5-3-9)18-12-11(8-14)16-6-7-19-13(16)15-12/h2-7H,8H2,1H3.
What are the key properties of 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 339.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).