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

C18H23N3OS — CID 82062739

IUPAC2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCOc1ccccc1-c1nc2sc(C)c(CC)n2c1CCN
InChIInChI=1S/C18H23N3OS/c1-4-14-12(3)23-18-20-17(15(10-11-19)21(14)18)13-8-6-7-9-16(13)22-5-2/h6-9H,4-5,10-11,19H2,1-3H3
InChIKeyFIYKHUSITUVQPO-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.83
Rot. Bonds6

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

2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 82062739) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID82062739
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCOc1ccccc1-c1nc2sc(C)c(CC)n2c1CCN
InChIInChI=1S/C18H23N3OS/c1-4-14-12(3)23-18-20-17(15(10-11-19)21(14)18)13-8-6-7-9-16(13)22-5-2/h6-9H,4-5,10-11,19H2,1-3H3
InChIKeyFIYKHUSITUVQPO-UHFFFAOYSA-N
XLogP3.83
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 82062739) is 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CCOc1ccccc1-c1nc2sc(C)c(CC)n2c1CCN.
What is the InChIKey of 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is FIYKHUSITUVQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-4-14-12(3)23-18-20-17(15(10-11-19)21(14)18)13-8-6-7-9-16(13)22-5-2/h6-9H,4-5,10-11,19H2,1-3H3.
What are the key properties of 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 329.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 82062739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).