Pimethixene

C₁₉H₁₉NS — CID 4822

About Pimethixene

Pimethixene (PubChem CID 4822) has the molecular formula C₁₉H₁₉NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-methyl-4-thioxanthen-9-ylidenepiperidine.

Molecular Properties

• Compound Name: Pimethixene
• PubChem CID: 4822
• Molecular Formula: C₁₉H₁₉NS
• Molecular Weight: 293.44 g/mol
• Exact Mass: 293.12
• IUPAC Name: 1-methyl-4-thioxanthen-9-ylidenepiperidine
• SMILES: CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1
• InChI: InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
• InChIKey: NZLVRVYNQYGMAB-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 3.24 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.44
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Pimethixene?

The IUPAC name of Pimethixene (CID 4822) is 1-methyl-4-thioxanthen-9-ylidenepiperidine.

What is the SMILES notation for Pimethixene?

The canonical SMILES for Pimethixene is CN1CCC(=C2c3ccccc3Sc3ccccc32)CC1.

What is the InChIKey of Pimethixene?

The InChIKey is NZLVRVYNQYGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3.

What are the key properties of Pimethixene?

Pimethixene has a molecular weight of 293.44 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pimethixene is sourced from PubChem (CID 4822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4822 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2169 — approved-drug record (CC BY-SA 4.0)

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