Pizotifen

Name: Pizotifen — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₁NS — CID 27400

💊View drug profile → pizotifen

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine

SMILESCN1CCC(=C2c3ccccc3CCc3sccc32)CC1

InChIInChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3

InChIKeyFIADGNVRKBPQEU-UHFFFAOYSA-N

MW295.45 g/mol

LogP4.37

Rot. Bonds

About Pizotifen

Pizotifen (PubChem CID 27400) has the molecular formula C₁₉H₂₁NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine.

Molecular Properties

Compound Name	Pizotifen
PubChem CID	27400
Molecular Formula	C₁₉H₂₁NS
Molecular Weight	295.45 g/mol
Exact Mass	295.14
IUPAC Name	1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine
SMILES	CN1CCC(=C2c3ccccc3CCc3sccc32)CC1
InChI	InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
InChIKey	FIADGNVRKBPQEU-UHFFFAOYSA-N
XLogP	4.37
TPSA	3.24 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.45
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Pizotifen?

The IUPAC name of Pizotifen (CID 27400) is 1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine.

What is the SMILES notation for Pizotifen?

The canonical SMILES for Pizotifen is CN1CCC(=C2c3ccccc3CCc3sccc32)CC1.

What is the InChIKey of Pizotifen?

The InChIKey is FIADGNVRKBPQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3.

What are the key properties of Pizotifen?

Pizotifen has a molecular weight of 295.45 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Pizotifen is sourced from PubChem (CID 27400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: P · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 27400 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 2220 — approved-drug record (CC BY-SA 4.0)

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