5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione

C17H21N3O3S — CID 43844223

IUPAC5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCN1CCN(C(=O)CC2SC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H21N3O3S/c1-2-18-8-10-19(11-9-18)15(21)12-14-16(22)20(17(23)24-14)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyGTAPPDVGJMZUPO-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.81
Rot. Bonds4

About 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione

5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 43844223) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID43844223
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCCN1CCN(C(=O)CC2SC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C17H21N3O3S/c1-2-18-8-10-19(11-9-18)15(21)12-14-16(22)20(17(23)24-14)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyGTAPPDVGJMZUPO-UHFFFAOYSA-N
XLogP1.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-1-methylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148497
2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
CID 110343473
(3S)-1-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 95096800
5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892123
ethyl 4-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)amino]benzoate
CID 2850048
2-[(5R)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetate
CID 6988865
5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5158922
1-ethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 53148534
tert-butyl 4-[2-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]piperazine-1-carboxylate
CID 124854382
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
3-(4-methylphenyl)-5-[3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]prop-2-enyl]-1,3-thiazolidine-2,4-dione
CID 23996183
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione (CID 43844223) is 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione is CCN1CCN(C(=O)CC2SC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GTAPPDVGJMZUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-2-18-8-10-19(11-9-18)15(21)12-14-16(22)20(17(23)24-14)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione?
5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 347.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43844223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).