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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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).