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

C15H17N3OS — CID 39194918

IUPAC2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1csc2nc(C)c(CCN)n12
InChIInChI=1S/C15H17N3OS/c1-10-12(7-8-16)18-13(9-20-15(18)17-10)11-5-3-4-6-14(11)19-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGUBJNGCPNLJLGF-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.88
Rot. Bonds4

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

2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39194918) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39194918
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1csc2nc(C)c(CCN)n12
InChIInChI=1S/C15H17N3OS/c1-10-12(7-8-16)18-13(9-20-15(18)17-10)11-5-3-4-6-14(11)19-2/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGUBJNGCPNLJLGF-UHFFFAOYSA-N
XLogP2.88
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39194918) is 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is COc1ccccc1-c1csc2nc(C)c(CCN)n12.
What is the InChIKey of 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is GUBJNGCPNLJLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-12(7-8-16)18-13(9-20-15(18)17-10)11-5-3-4-6-14(11)19-2/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 287.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39194918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).