2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

C25H29N3O2S — CID 55585106

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCN(CCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-30-23-10-8-21(9-11-23)25-26-22(19-31-25)18-24(29)28-16-14-27(15-17-28)13-12-20-6-4-3-5-7-20/h3-11,19H,2,12-18H2,1H3
InChIKeyCNEBHDPIGLGIEQ-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.14
Rot. Bonds8

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 55585106) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
PubChem CID55585106
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(-c2nc(CC(=O)N3CCN(CCc4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-30-23-10-8-21(9-11-23)25-26-22(19-31-25)18-24(29)28-16-14-27(15-17-28)13-12-20-6-4-3-5-7-20/h3-11,19H,2,12-18H2,1H3
InChIKeyCNEBHDPIGLGIEQ-UHFFFAOYSA-N
XLogP4.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55822311
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
(3R)-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124683151
1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112803915
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55386843
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 78817443
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone (CID 55585106) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is CCOc1ccc(-c2nc(CC(=O)N3CCN(CCc4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is CNEBHDPIGLGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-2-30-23-10-8-21(9-11-23)25-26-22(19-31-25)18-24(29)28-16-14-27(15-17-28)13-12-20-6-4-3-5-7-20/h3-11,19H,2,12-18H2,1H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 435.59 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55585106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).