Thiopropazate

C₂₃H₂₈ClN₃O₂S — CID 6762

About Thiopropazate

Thiopropazate (PubChem CID 6762) has the molecular formula C₂₃H₂₈ClN₃O₂S and a molecular weight of 446.02 g/mol. Its IUPAC name is 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

• Compound Name: Thiopropazate
• PubChem CID: 6762
• Molecular Formula: C₂₃H₂₈ClN₃O₂S
• Molecular Weight: 446.02 g/mol
• Exact Mass: 445.16
• IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate
• SMILES: CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
• InChI: InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3
• InChIKey: AIUHRQHVWSUTGJ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 36.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.02
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Thiopropazate?

The IUPAC name of Thiopropazate (CID 6762) is 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl acetate.

What is the SMILES notation for Thiopropazate?

The canonical SMILES for Thiopropazate is CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.

What is the InChIKey of Thiopropazate?

The InChIKey is AIUHRQHVWSUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3.

What are the key properties of Thiopropazate?

Thiopropazate has a molecular weight of 446.02 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Thiopropazate is sourced from PubChem (CID 6762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6762 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2634 — approved-drug record (CC BY-SA 4.0)

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