Lanoconazole

C₁₄H₁₀ClN₃S₂ — CID 3002820

About Lanoconazole

Lanoconazole (PubChem CID 3002820) has the molecular formula C₁₄H₁₀ClN₃S₂ and a molecular weight of 319.84 g/mol. Its IUPAC name is (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile.

Molecular Properties

• Compound Name: Lanoconazole
• PubChem CID: 3002820
• Molecular Formula: C₁₄H₁₀ClN₃S₂
• Molecular Weight: 319.84 g/mol
• Exact Mass: 319.00
• IUPAC Name: (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
• SMILES: N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1
• InChI: InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+
• InChIKey: ZRTQSJFIDWNVJW-WYMLVPIESA-N
• XLogP: 4.41
• TPSA: 41.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.84
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Lanoconazole?

The IUPAC name of Lanoconazole (CID 3002820) is (2E)-2-[4-(2-chlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile.

What is the SMILES notation for Lanoconazole?

The canonical SMILES for Lanoconazole is N#C/C(=C1/SCC(c2ccccc2Cl)S1)n1ccnc1.

What is the InChIKey of Lanoconazole?

The InChIKey is ZRTQSJFIDWNVJW-WYMLVPIESA-N. The full InChI is InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+.

What are the key properties of Lanoconazole?

Lanoconazole has a molecular weight of 319.84 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Lanoconazole is sourced from PubChem (CID 3002820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3002820 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3979 — approved-drug record (CC BY-SA 4.0)

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