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

C17H21N3OS — CID 93210828

IUPAC2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc2scc(C(C)C)n2c1CCN
InChIInChI=1S/C17H21N3OS/c1-11(2)14-10-22-17-19-16(13(8-9-18)20(14)17)12-6-4-5-7-15(12)21-3/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyZKZOCODPLDEJAK-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.70
Rot. Bonds5

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

2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 93210828) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID93210828
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCOc1ccccc1-c1nc2scc(C(C)C)n2c1CCN
InChIInChI=1S/C17H21N3OS/c1-11(2)14-10-22-17-19-16(13(8-9-18)20(14)17)12-6-4-5-7-15(12)21-3/h4-7,10-11H,8-9,18H2,1-3H3
InChIKeyZKZOCODPLDEJAK-UHFFFAOYSA-N
XLogP3.70
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062481
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
2-(6-methyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062556
2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062463
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
2-[3-(2-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195038
2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062739
2-[4-(2-methoxyphenyl)-2-phenyl-1,3-thiazol-5-yl]ethanamine
CID 93216518
6-(furan-2-yl)-3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216189
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
2-[4-(2-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82285156

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 93210828) is 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is COc1ccccc1-c1nc2scc(C(C)C)n2c1CCN.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is ZKZOCODPLDEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11(2)14-10-22-17-19-16(13(8-9-18)20(14)17)12-6-4-5-7-15(12)21-3/h4-7,10-11H,8-9,18H2,1-3H3.
What are the key properties of 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 93210828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).