2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C13H11BrFN3OS — CID 81325942

IUPAC2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(Oc2cc(F)cc(Br)c2)nc2sccn12
InChIInChI=1S/C13H11BrFN3OS/c14-8-5-9(15)7-10(6-8)19-12-11(1-2-16)18-3-4-20-13(18)17-12/h3-7H,1-2,16H2
InChIKeyZCCIFLIZKUSXGM-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.59
Rot. Bonds4

About 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 81325942) has the molecular formula C13H11BrFN3OS and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID81325942
Molecular FormulaC13H11BrFN3OS
Molecular Weight356.22 g/mol
Exact Mass354.98
IUPAC Name2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESNCCc1c(Oc2cc(F)cc(Br)c2)nc2sccn12
InChIInChI=1S/C13H11BrFN3OS/c14-8-5-9(15)7-10(6-8)19-12-11(1-2-16)18-3-4-20-13(18)17-12/h3-7H,1-2,16H2
InChIKeyZCCIFLIZKUSXGM-UHFFFAOYSA-N
XLogP3.59
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63803338
[6-(3,5-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 62785052
2-[6-(4-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802425
2-[6-(2-bromophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63815749
5-(chloromethyl)-6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 43476148
2-[6-(4-chloro-2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63802614
[6-(4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43476675
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
2-(3-bromo-5-fluorophenoxy)-3-(chloromethyl)imidazo[1,2-a]pyridine
CID 81331656
2-[6-(4-bromopyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63816427
N-[[6-(3-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]cyclopropanamine
CID 43476727
5-(2-aminoethyl)-N-(3-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 63786863

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 81325942) is 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is NCCc1c(Oc2cc(F)cc(Br)c2)nc2sccn12.
What is the InChIKey of 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is ZCCIFLIZKUSXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3OS/c14-8-5-9(15)7-10(6-8)19-12-11(1-2-16)18-3-4-20-13(18)17-12/h3-7H,1-2,16H2.
What are the key properties of 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 356.22 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-bromo-5-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 81325942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).