N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

C14H13BrClN3OS — CID 43476755

IUPACN-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Oc2ccc(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C14H13BrClN3OS/c1-2-17-8-11-13(18-14-19(11)5-6-21-14)20-12-4-3-9(15)7-10(12)16/h3-7,17H,2,8H2,1H3
InChIKeyXTYGXCGOBHQWIP-UHFFFAOYSA-N
MW386.70 g/mol
LogP4.71
Rot. Bonds5

About N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine

N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (PubChem CID 43476755) has the molecular formula C14H13BrClN3OS and a molecular weight of 386.70 g/mol. Its IUPAC name is N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
PubChem CID43476755
Molecular FormulaC14H13BrClN3OS
Molecular Weight386.70 g/mol
Exact Mass384.97
IUPAC NameN-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1c(Oc2ccc(Br)cc2Cl)nc2sccn12
InChIInChI=1S/C14H13BrClN3OS/c1-2-17-8-11-13(18-14-19(11)5-6-21-14)20-12-4-3-9(15)7-10(12)16/h3-7,17H,2,8H2,1H3
InChIKeyXTYGXCGOBHQWIP-UHFFFAOYSA-N
XLogP4.71
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.70
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

1-[6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 107659553
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476745
N-[[6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 107169863
5-(bromomethyl)-6-(2,4,5-trichlorophenoxy)imidazo[2,1-b][1,3]thiazole
CID 107086431
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 65429809
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679
[6-(4-bromo-2-nitrophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65429632
1-[6-(2-bromo-4-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 63803299
[6-(2,3-dichlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476053
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine (CID 43476755) is N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is CCNCc1c(Oc2ccc(Br)cc2Cl)nc2sccn12.
What is the InChIKey of N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
The InChIKey is XTYGXCGOBHQWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3OS/c1-2-17-8-11-13(18-14-19(11)5-6-21-14)20-12-4-3-9(15)7-10(12)16/h3-7,17H,2,8H2,1H3.
What are the key properties of N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine?
N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine has a molecular weight of 386.70 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-bromo-2-chlorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 43476755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).