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

C9H13N3O3S — CID 87386920

IUPAC5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione
SMILESCC(=O)N1CCN(C2SC(=O)NC2=O)CC1
InChIInChI=1S/C9H13N3O3S/c1-6(13)11-2-4-12(5-3-11)8-7(14)10-9(15)16-8/h8H,2-5H2,1H3,(H,10,14,15)
InChIKeyBIXXUURHANHYCC-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.54
Rot. Bonds1

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

5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 87386920) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione
PubChem CID87386920
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione
SMILESCC(=O)N1CCN(C2SC(=O)NC2=O)CC1
InChIInChI=1S/C9H13N3O3S/c1-6(13)11-2-4-12(5-3-11)8-7(14)10-9(15)16-8/h8H,2-5H2,1H3,(H,10,14,15)
InChIKeyBIXXUURHANHYCC-UHFFFAOYSA-N
XLogP-0.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
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-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione (CID 87386920) is 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione is CC(=O)N1CCN(C2SC(=O)NC2=O)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is BIXXUURHANHYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6(13)11-2-4-12(5-3-11)8-7(14)10-9(15)16-8/h8H,2-5H2,1H3,(H,10,14,15).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione?
5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 243.29 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87386920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).