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

C14H13BrN2O2S — CID 107086633

IUPAC5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-2-18-10-3-5-11(6-4-10)19-13-12(9-15)17-7-8-20-14(17)16-13/h3-8H,2,9H2,1H3
InChIKeyRSQFOKFSJWFMMC-UHFFFAOYSA-N
MW353.24 g/mol
LogP4.48
Rot. Bonds5

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

5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107086633) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107086633
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-2-18-10-3-5-11(6-4-10)19-13-12(9-15)17-7-8-20-14(17)16-13/h3-8H,2,9H2,1H3
InChIKeyRSQFOKFSJWFMMC-UHFFFAOYSA-N
XLogP4.48
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 54.48
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-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087459
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
[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
5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
CID 43476188
N-[[6-[(6-methyl-3-pyridinyl)oxy]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62074983
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
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
[6-(3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476129
5-(bromomethyl)-6-(2-fluoro-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107089176

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole (CID 107086633) is 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole is CCOc1ccc(Oc2nc3sccn3c2CBr)cc1.
What is the InChIKey of 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is RSQFOKFSJWFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-2-18-10-3-5-11(6-4-10)19-13-12(9-15)17-7-8-20-14(17)16-13/h3-8H,2,9H2,1H3.
What are the key properties of 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 353.24 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(4-ethoxyphenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107086633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).