5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione

C7H9N3O3S — CID 142623450

IUPAC5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CN(C2SC(=O)NC2=O)CCN1
InChIInChI=1S/C7H9N3O3S/c11-4-3-10(2-1-8-4)6-5(12)9-7(13)14-6/h6H,1-3H2,(H,8,11)(H,9,12,13)
InChIKeyOVZDECBWIIRDNV-UHFFFAOYSA-N
MW215.23 g/mol
LogP-1.27
Rot. Bonds1

About 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione

5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 142623450) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione
PubChem CID142623450
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CN(C2SC(=O)NC2=O)CCN1
InChIInChI=1S/C7H9N3O3S/c11-4-3-10(2-1-8-4)6-5(12)9-7(13)14-6/h6H,1-3H2,(H,8,11)(H,9,12,13)
InChIKeyOVZDECBWIIRDNV-UHFFFAOYSA-N
XLogP-1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
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-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione (CID 142623450) is 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione is O=C1CN(C2SC(=O)NC2=O)CCN1.
What is the InChIKey of 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OVZDECBWIIRDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c11-4-3-10(2-1-8-4)6-5(12)9-7(13)14-6/h6H,1-3H2,(H,8,11)(H,9,12,13).
What are the key properties of 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 215.23 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxopiperazin-1-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 142623450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).