2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone

C22H27N3O2S — CID 40509240

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
SMILESCCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@H]4CC)csc3n2)cc1
InChIInChI=1S/C22H27N3O2S/c1-3-17-7-5-6-12-24(17)21(26)13-18-15-28-22-23-20(14-25(18)22)16-8-10-19(11-9-16)27-4-2/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t17-/m1/s1
InChIKeyZPVOHEZKSMZFIZ-QGZVFWFLSA-N
MW397.54 g/mol
LogP4.80
Rot. Bonds6

About 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone (PubChem CID 40509240) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
PubChem CID40509240
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
SMILESCCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@H]4CC)csc3n2)cc1
InChIInChI=1S/C22H27N3O2S/c1-3-17-7-5-6-12-24(17)21(26)13-18-15-28-22-23-20(14-25(18)22)16-8-10-19(11-9-16)27-4-2/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t17-/m1/s1
InChIKeyZPVOHEZKSMZFIZ-QGZVFWFLSA-N
XLogP4.80
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43981546
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-methylacetamide
CID 40509194
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40509230
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40509231
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-ethyl-N-phenylacetamide
CID 121038352
N-[(2-chlorophenyl)methyl]-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044370
N-(3,3-diphenylpropyl)-2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044406
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-fluorophenyl)acetamide
CID 40509257
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 121038398

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone (CID 40509240) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone is CCOc1ccc(-c2cn3c(CC(=O)N4CCCC[C@H]4CC)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
The InChIKey is ZPVOHEZKSMZFIZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-3-17-7-5-6-12-24(17)21(26)13-18-15-28-22-23-20(14-25(18)22)16-8-10-19(11-9-16)27-4-2/h8-11,14-15,17H,3-7,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone has a molecular weight of 397.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[(2R)-2-ethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 40509240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).