Pioglitazone

C₁₉H₂₀N₂O₃S — CID 4829

About Pioglitazone

Pioglitazone (PubChem CID 4829) has the molecular formula C₁₉H₂₀N₂O₃S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: Pioglitazone
• PubChem CID: 4829
• Molecular Formula: C₁₉H₂₀N₂O₃S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.12
• IUPAC Name: 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
• InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Pioglitazone?

The IUPAC name of Pioglitazone (CID 4829) is 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for Pioglitazone?

The canonical SMILES for Pioglitazone is CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.

What is the InChIKey of Pioglitazone?

The InChIKey is HYAFETHFCAUJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23).

What are the key properties of Pioglitazone?

Pioglitazone has a molecular weight of 356.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Pioglitazone is sourced from PubChem (CID 4829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4829 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2179 — approved-drug record (CC BY-SA 4.0)

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