Riluzole

C₈H₅F₃N₂OS — CID 5070

About Riluzole

Riluzole (PubChem CID 5070) has the molecular formula C₈H₅F₃N₂OS and a molecular weight of 234.20 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: Riluzole
• PubChem CID: 5070
• Molecular Formula: C₈H₅F₃N₂OS
• Molecular Weight: 234.20 g/mol
• Exact Mass: 234.01
• IUPAC Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
• SMILES: Nc1nc2ccc(OC(F)(F)F)cc2s1
• InChI: InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
• InChIKey: FTALBRSUTCGOEG-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.20
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Riluzole?

The IUPAC name of Riluzole (CID 5070) is 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine.

What is the SMILES notation for Riluzole?

The canonical SMILES for Riluzole is Nc1nc2ccc(OC(F)(F)F)cc2s1.

What is the InChIKey of Riluzole?

The InChIKey is FTALBRSUTCGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13).

What are the key properties of Riluzole?

Riluzole has a molecular weight of 234.20 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Riluzole is sourced from PubChem (CID 5070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5070 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2382 — approved-drug record (CC BY-SA 4.0)

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