4-(1H-benzimidazol-2-yl)-1,3-thiazole

C10H7N3S — CID 5430

💊View drug profile → thiabendazole
IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyWJCNZQLZVWNLKY-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole

4-(1H-benzimidazol-2-yl)-1,3-thiazole (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 Name4-(1H-benzimidazol-2-yl)-1,3-thiazole
PubChem CID5430
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole
SMILESc1ccc2[nH]c(-c3cscn3)nc2c1
InChIInChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)
InChIKeyWJCNZQLZVWNLKY-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(1,3-thiazol-4-yl)-1H-1,3-benzodiazol-1-yl]acetic acid
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2-(5-Methyl-2-thienyl)-1H-benzimidazole
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FR117016
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n-Methylthiabendazole
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[1,3]Thiazolo[3,2-a]benzimidazole
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4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole (CID 5430) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole is c1ccc2[nH]c(-c3cscn3)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole?
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 4-(1H-benzimidazol-2-yl)-1,3-thiazole?
4-(1H-benzimidazol-2-yl)-1,3-thiazole 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 4-(1H-benzimidazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 5430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).