Talipexole

C₁₀H₁₅N₃S — CID 5374

About Talipexole

Talipexole (PubChem CID 5374) has the molecular formula C₁₀H₁₅N₃S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.

Molecular Properties

• Compound Name: Talipexole
• PubChem CID: 5374
• Molecular Formula: C₁₀H₁₅N₃S
• Molecular Weight: 209.32 g/mol
• Exact Mass: 209.10
• IUPAC Name: 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
• SMILES: C=CCN1CCc2nc(N)sc2CC1
• InChI: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
• InChIKey: DHSSDEDRBUKTQY-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 42.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.32
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Talipexole?

The IUPAC name of Talipexole (CID 5374) is 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.

What is the SMILES notation for Talipexole?

The canonical SMILES for Talipexole is C=CCN1CCc2nc(N)sc2CC1.

What is the InChIKey of Talipexole?

The InChIKey is DHSSDEDRBUKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12).

What are the key properties of Talipexole?

Talipexole has a molecular weight of 209.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Talipexole is sourced from PubChem (CID 5374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5374 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2558 — approved-drug record (CC BY-SA 4.0)

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