Thiazosulfone

C₉H₉N₃O₂S₂ — CID 10124

About Thiazosulfone

Thiazosulfone (PubChem CID 10124) has the molecular formula C₉H₉N₃O₂S₂ and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: Thiazosulfone
• PubChem CID: 10124
• Molecular Formula: C₉H₉N₃O₂S₂
• Molecular Weight: 255.32 g/mol
• Exact Mass: 255.01
• IUPAC Name: 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
• SMILES: Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1
• InChI: InChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12)
• InChIKey: KVEZIRCKNOTGKY-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 99.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	255.32
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Thiazosulfone?

The IUPAC name of Thiazosulfone (CID 10124) is 5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine.

What is the SMILES notation for Thiazosulfone?

The canonical SMILES for Thiazosulfone is Nc1ccc(S(=O)(=O)c2cnc(N)s2)cc1.

What is the InChIKey of Thiazosulfone?

The InChIKey is KVEZIRCKNOTGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12).

What are the key properties of Thiazosulfone?

Thiazosulfone has a molecular weight of 255.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Thiazosulfone is sourced from PubChem (CID 10124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10124 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3597 — approved-drug record (CC BY-SA 4.0)

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