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

C26H27N3O2S — CID 29044557

IUPAC1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1cccc(-c2cn3c(CC(=O)N4CCC(Cc5ccccc5)CC4)csc3n2)c1
InChIInChI=1S/C26H27N3O2S/c1-31-23-9-5-8-21(15-23)24-17-29-22(18-32-26(29)27-24)16-25(30)28-12-10-20(11-13-28)14-19-6-3-2-4-7-19/h2-9,15,17-18,20H,10-14,16H2,1H3
InChIKeyXGQORAVMIFTAKN-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.10
Rot. Bonds6

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

1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (PubChem CID 29044557) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
PubChem CID29044557
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1cccc(-c2cn3c(CC(=O)N4CCC(Cc5ccccc5)CC4)csc3n2)c1
InChIInChI=1S/C26H27N3O2S/c1-31-23-9-5-8-21(15-23)24-17-29-22(18-32-26(29)27-24)16-25(30)28-12-10-20(11-13-28)14-19-6-3-2-4-7-19/h2-9,15,17-18,20H,10-14,16H2,1H3
InChIKeyXGQORAVMIFTAKN-UHFFFAOYSA-N
XLogP5.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N,N-diethyl-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509499
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 29044651
(3S)-N-ethyl-1-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95213030
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
N-(3,4-dimethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044612
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
N-(4-ethoxyphenyl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509577

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (CID 29044557) is 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is COc1cccc(-c2cn3c(CC(=O)N4CCC(Cc5ccccc5)CC4)csc3n2)c1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The InChIKey is XGQORAVMIFTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-31-23-9-5-8-21(15-23)24-17-29-22(18-32-26(29)27-24)16-25(30)28-12-10-20(11-13-28)14-19-6-3-2-4-7-19/h2-9,15,17-18,20H,10-14,16H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone has a molecular weight of 445.59 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is sourced from PubChem (CID 29044557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).