Tizanidine

C₉H₈ClN₅S — CID 5487

About Tizanidine

Tizanidine (PubChem CID 5487) has the molecular formula C₉H₈ClN₅S and a molecular weight of 253.72 g/mol. Its IUPAC name is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

• Compound Name: Tizanidine
• PubChem CID: 5487
• Molecular Formula: C₉H₈ClN₅S
• Molecular Weight: 253.72 g/mol
• Exact Mass: 253.02
• IUPAC Name: 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine
• SMILES: Clc1ccc2nsnc2c1NC1=NCCN1
• InChI: InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13)
• InChIKey: XFYDIVBRZNQMJC-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 62.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.72
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Tizanidine?

The IUPAC name of Tizanidine (CID 5487) is 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine.

What is the SMILES notation for Tizanidine?

The canonical SMILES for Tizanidine is Clc1ccc2nsnc2c1NC1=NCCN1.

What is the InChIKey of Tizanidine?

The InChIKey is XFYDIVBRZNQMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9/h1-2H,3-4H2,(H2,11,12,13).

What are the key properties of Tizanidine?

Tizanidine has a molecular weight of 253.72 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Tizanidine is sourced from PubChem (CID 5487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5487 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2683 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.