3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione

C16H22N4O2S — CID 13059831

IUPAC3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H22N4O2S/c21-15-13-23-16(22)20(15)8-4-3-7-18-9-11-19(12-10-18)14-5-1-2-6-17-14/h1-2,5-6H,3-4,7-13H2
InChIKeyMHUSLRYXIOMEHZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.68
Rot. Bonds6

About 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione

3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione (PubChem CID 13059831) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione
PubChem CID13059831
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H22N4O2S/c21-15-13-23-16(22)20(15)8-4-3-7-18-9-11-19(12-10-18)14-5-1-2-6-17-14/h1-2,5-6H,3-4,7-13H2
InChIKeyMHUSLRYXIOMEHZ-UHFFFAOYSA-N
XLogP1.68
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione (CID 13059831) is 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is MHUSLRYXIOMEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-15-13-23-16(22)20(15)8-4-3-7-18-9-11-19(12-10-18)14-5-1-2-6-17-14/h1-2,5-6H,3-4,7-13H2.
What are the key properties of 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione?
3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 334.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 13059831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).