2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C17H21N3OS — CID 39195240

IUPAC2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCOc1ccccc1-c1c(CC)sc2ncc(CCN)n12
InChIInChI=1S/C17H21N3OS/c1-3-15-16(13-7-5-6-8-14(13)21-4-2)20-12(9-10-18)11-19-17(20)22-15/h5-8,11H,3-4,9-10,18H2,1-2H3
InChIKeyNCXCXHYWYYJYON-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.53
Rot. Bonds6

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

2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195240) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195240
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCOc1ccccc1-c1c(CC)sc2ncc(CCN)n12
InChIInChI=1S/C17H21N3OS/c1-3-15-16(13-7-5-6-8-14(13)21-4-2)20-12(9-10-18)11-19-17(20)22-15/h5-8,11H,3-4,9-10,18H2,1-2H3
InChIKeyNCXCXHYWYYJYON-UHFFFAOYSA-N
XLogP3.53
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195234
2-[3-(3,4-dichlorophenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195226
2-[6-(2-ethoxyphenyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062739
2-(3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062319
2-[3-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195164
2-[2-(2-ethoxyphenyl)-1-methylimidazol-4-yl]ethanamine
CID 95457075
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846
2-[3-(2-methoxyphenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195038
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
2-[2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195162
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
5-(2-ethoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62225067

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195240) is 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CCOc1ccccc1-c1c(CC)sc2ncc(CCN)n12.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is NCXCXHYWYYJYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-15-16(13-7-5-6-8-14(13)21-4-2)20-12(9-10-18)11-19-17(20)22-15/h5-8,11H,3-4,9-10,18H2,1-2H3.
What are the key properties of 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).