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

C21H25N3O2S — CID 43981546

IUPAC2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(-c2cn3c(CC(=O)N4CCCCC4C)csc3n2)cc1
InChIInChI=1S/C21H25N3O2S/c1-3-26-18-9-7-16(8-10-18)19-13-24-17(14-27-21(24)22-19)12-20(25)23-11-5-4-6-15(23)2/h7-10,13-15H,3-6,11-12H2,1-2H3
InChIKeyWXBKQVMBGYXBDZ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.41
Rot. Bonds5

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 43981546) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID43981546
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(-c2cn3c(CC(=O)N4CCCCC4C)csc3n2)cc1
InChIInChI=1S/C21H25N3O2S/c1-3-26-18-9-7-16(8-10-18)19-13-24-17(14-27-21(24)22-19)12-20(25)23-11-5-4-6-15(23)2/h7-10,13-15H,3-6,11-12H2,1-2H3
InChIKeyWXBKQVMBGYXBDZ-UHFFFAOYSA-N
XLogP4.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 43981546) is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone is CCOc1ccc(-c2cn3c(CC(=O)N4CCCCC4C)csc3n2)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is WXBKQVMBGYXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-3-26-18-9-7-16(8-10-18)19-13-24-17(14-27-21(24)22-19)12-20(25)23-11-5-4-6-15(23)2/h7-10,13-15H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 383.52 g/mol, XLogP of 4.41, 5 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-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43981546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).