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Thioridazine

C21H26N2S2 — CID 5452

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyKLBQZWRITKRQQV-UHFFFAOYSA-N
MW370.59 g/mol
LogP5.89
Rot. Bonds4

About Thioridazine

Thioridazine (PubChem CID 5452) has the molecular formula C21H26N2S2 and a molecular weight of 370.59 g/mol. Its IUPAC name is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine.

Molecular Properties

Compound NameThioridazine
PubChem CID5452
Molecular FormulaC21H26N2S2
Molecular Weight370.59 g/mol
Exact Mass370.15
IUPAC Name10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
SMILESCSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKeyKLBQZWRITKRQQV-UHFFFAOYSA-N
XLogP5.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.59
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Perazine
CID 4744
Methdilazine
CID 14677
(+-)-Ethopropazine
CID 3290
Promazine Hydrochloride
CID 5887
Pecazine
CID 6075

Frequently Asked Questions

What is the IUPAC name of Thioridazine?
The IUPAC name of Thioridazine (CID 5452) is 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine.
What is the SMILES notation for Thioridazine?
The canonical SMILES for Thioridazine is CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.
What is the InChIKey of Thioridazine?
The InChIKey is KLBQZWRITKRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3.
What are the key properties of Thioridazine?
Thioridazine has a molecular weight of 370.59 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Thioridazine is sourced from PubChem (CID 5452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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