Trimeprazine

C₁₈H₂₂N₂S — CID 5574

About Trimeprazine

Trimeprazine (PubChem CID 5574) has the molecular formula C₁₈H₂₂N₂S and a molecular weight of 298.45 g/mol. Its IUPAC name is N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.

Molecular Properties

• Compound Name: Trimeprazine
• PubChem CID: 5574
• Molecular Formula: C₁₈H₂₂N₂S
• Molecular Weight: 298.45 g/mol
• Exact Mass: 298.15
• IUPAC Name: N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
• SMILES: CC(CN(C)C)CN1c2ccccc2Sc2ccccc21
• InChI: InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
• InChIKey: ZZHLYYDVIOPZBE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.45
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Trimeprazine?

The IUPAC name of Trimeprazine (CID 5574) is N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine.

What is the SMILES notation for Trimeprazine?

The canonical SMILES for Trimeprazine is CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.

What is the InChIKey of Trimeprazine?

The InChIKey is ZZHLYYDVIOPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3.

What are the key properties of Trimeprazine?

Trimeprazine has a molecular weight of 298.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Trimeprazine is sourced from PubChem (CID 5574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5574 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2749 — approved-drug record (CC BY-SA 4.0)

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