2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C18H23N3OS — CID 39195234

IUPAC2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCc1sc2ncc(CCN)n2c1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23N3OS/c1-4-16-17(13-5-7-15(8-6-13)22-12(2)3)21-14(9-10-19)11-20-18(21)23-16/h5-8,11-12H,4,9-10,19H2,1-3H3
InChIKeyUJAFPZRSFSSBQS-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.91
Rot. Bonds6

About 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 39195234) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID39195234
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCCc1sc2ncc(CCN)n2c1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H23N3OS/c1-4-16-17(13-5-7-15(8-6-13)22-12(2)3)21-14(9-10-19)11-20-18(21)23-16/h5-8,11-12H,4,9-10,19H2,1-3H3
InChIKeyUJAFPZRSFSSBQS-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195240
2-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82104465
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068426
2-[4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 95457147
2-methyl-3-(4-propan-2-yloxyphenyl)-6-propylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035633
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39197050
7-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554854
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 39195234) is 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CCc1sc2ncc(CCN)n2c1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is UJAFPZRSFSSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-4-16-17(13-5-7-15(8-6-13)22-12(2)3)21-14(9-10-19)11-20-18(21)23-16/h5-8,11-12H,4,9-10,19H2,1-3H3.
What are the key properties of 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 329.47 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 39195234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).