Butazolamide

C₆H₁₀N₄O₃S₂ — CID 519309

About Butazolamide

Butazolamide (PubChem CID 519309) has the molecular formula C₆H₁₀N₄O₃S₂ and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: Butazolamide
• PubChem CID: 519309
• Molecular Formula: C₆H₁₀N₄O₃S₂
• Molecular Weight: 250.30 g/mol
• Exact Mass: 250.02
• IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
• SMILES: CCCC(=O)Nc1nnc(S(N)(=O)=O)s1
• InChI: InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
• InChIKey: HZIYHIRJHYIRQO-UHFFFAOYSA-N
• XLogP: -0.08
• TPSA: 115.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.30
LogP ≤ 5	-0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Butazolamide?

The IUPAC name of Butazolamide (CID 519309) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.

What is the SMILES notation for Butazolamide?

The canonical SMILES for Butazolamide is CCCC(=O)Nc1nnc(S(N)(=O)=O)s1.

What is the InChIKey of Butazolamide?

The InChIKey is HZIYHIRJHYIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11).

What are the key properties of Butazolamide?

Butazolamide has a molecular weight of 250.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Butazolamide is sourced from PubChem (CID 519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 519309 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3693 — approved-drug record (CC BY-SA 4.0)

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