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

C15H15BrN2O2S — CID 107087459

IUPAC5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCCCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-8-19-11-3-5-12(6-4-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h3-7,9H,2,8,10H2,1H3
InChIKeyRBYFGCCMQQPKLI-UHFFFAOYSA-N
MW367.27 g/mol
LogP4.87
Rot. Bonds6

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

5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole (PubChem CID 107087459) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
PubChem CID107087459
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole
SMILESCCCOc1ccc(Oc2nc3sccn3c2CBr)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-2-8-19-11-3-5-12(6-4-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h3-7,9H,2,8,10H2,1H3
InChIKeyRBYFGCCMQQPKLI-UHFFFAOYSA-N
XLogP4.87
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 54.87
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-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
5-(chloromethyl)-6-[4-(2-methoxyethyl)phenoxy]imidazo[2,1-b][1,3]thiazole
CID 43476188
N-[[6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 107169863
N-[[6-[(6-methyl-3-pyridinyl)oxy]imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62074983
5-(bromomethyl)-6-(2-bromo-6-nitrophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107088927
1-[6-(4-bromo-3-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 83135479
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
6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132
(6-pyridin-3-yloxyimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 43476184

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole (CID 107087459) is 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole is CCCOc1ccc(Oc2nc3sccn3c2CBr)cc1.
What is the InChIKey of 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
The InChIKey is RBYFGCCMQQPKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-8-19-11-3-5-12(6-4-11)20-14-13(10-16)18-7-9-21-15(18)17-14/h3-7,9H,2,8,10H2,1H3.
What are the key properties of 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole?
5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole has a molecular weight of 367.27 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(4-propoxyphenoxy)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 107087459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).