Thiabendazole

C₁₀H₇N₃S — CID 5430

About Thiabendazole

Thiabendazole (PubChem CID 5430) has the molecular formula C₁₀H₇N₃S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: Thiabendazole
• PubChem CID: 5430
• Molecular Formula: C₁₀H₇N₃S
• Molecular Weight: 201.25 g/mol
• Exact Mass: 201.04
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-1,3-thiazole
• SMILES: c1ccc2[nH]c(-c3cscn3)nc2c1
• InChI: InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
• InChIKey: WJCNZQLZVWNLKY-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	201.25
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Thiabendazole?

The IUPAC name of Thiabendazole (CID 5430) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole.

What is the SMILES notation for Thiabendazole?

The canonical SMILES for Thiabendazole is c1ccc2[nH]c(-c3cscn3)nc2c1.

What is the InChIKey of Thiabendazole?

The InChIKey is WJCNZQLZVWNLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13).

What are the key properties of Thiabendazole?

Thiabendazole has a molecular weight of 201.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Thiabendazole is sourced from PubChem (CID 5430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5430 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2621 — approved-drug record (CC BY-SA 4.0)

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