5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine

C9H7N5S — CID 83640713

IUPAC5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C9H7N5S/c10-9-14-13-8(15-9)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H2,10,14)(H,11,12)
InChIKeyFFSPXJVZHWCWSI-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.66
Rot. Bonds1

About 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 83640713) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID83640713
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C9H7N5S/c10-9-14-13-8(15-9)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H2,10,14)(H,11,12)
InChIKeyFFSPXJVZHWCWSI-UHFFFAOYSA-N
XLogP1.66
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 83640713) is 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc3nc[nH]c3c2)s1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FFSPXJVZHWCWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-9-14-13-8(15-9)5-1-2-6-7(3-5)12-4-11-6/h1-4H,(H2,10,14)(H,11,12).
What are the key properties of 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 217.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83640713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).