2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C14H14BrN3S — CID 39194860

IUPAC2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1nc2scc(-c3ccc(Br)cc3)n2c1CCN
InChIInChI=1S/C14H14BrN3S/c1-9-12(6-7-16)18-13(8-19-14(18)17-9)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3
InChIKeyWWMOZDYJEREYTR-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.63
Rot. Bonds3

About 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39194860) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39194860
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCc1nc2scc(-c3ccc(Br)cc3)n2c1CCN
InChIInChI=1S/C14H14BrN3S/c1-9-12(6-7-16)18-13(8-19-14(18)17-9)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3
InChIKeyWWMOZDYJEREYTR-UHFFFAOYSA-N
XLogP3.63
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 39194990
2-[6-tert-butyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210774
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565
[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196762
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
2-(3-pyridin-4-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062566
2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195012
2-(6-pyridin-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 93210844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39194860) is 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is Cc1nc2scc(-c3ccc(Br)cc3)n2c1CCN.
What is the InChIKey of 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is WWMOZDYJEREYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-9-12(6-7-16)18-13(8-19-14(18)17-9)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3.
What are the key properties of 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 336.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39194860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).