3-piperidin-4-yl-1,3-thiazolidine-2,4-dione

C8H12N2O2S — CID 72716704

IUPAC3-piperidin-4-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNCC1
InChIInChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)6-1-3-9-4-2-6/h6,9H,1-5H2
InChIKeyWVJJQXBMBAPDMI-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.43
Rot. Bonds1

About 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione

3-piperidin-4-yl-1,3-thiazolidine-2,4-dione (PubChem CID 72716704) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-piperidin-4-yl-1,3-thiazolidine-2,4-dione
PubChem CID72716704
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-piperidin-4-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNCC1
InChIInChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)6-1-3-9-4-2-6/h6,9H,1-5H2
InChIKeyWVJJQXBMBAPDMI-UHFFFAOYSA-N
XLogP0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione (CID 72716704) is 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is WVJJQXBMBAPDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7-5-13-8(12)10(7)6-1-3-9-4-2-6/h6,9H,1-5H2.
What are the key properties of 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione?
3-piperidin-4-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 200.26 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 72716704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).