1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone

C10H9N3OS — CID 107780515

IUPAC1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C10H9N3OS/c1-7(14)8-2-3-9(13-6-8)15-10-11-4-5-12-10/h2-6H,1H3,(H,11,12)
InChIKeyVHZHWPZTVZQDHQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.16
Rot. Bonds3

About 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone

1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone (PubChem CID 107780515) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone
PubChem CID107780515
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C10H9N3OS/c1-7(14)8-2-3-9(13-6-8)15-10-11-4-5-12-10/h2-6H,1H3,(H,11,12)
InChIKeyVHZHWPZTVZQDHQ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone (CID 107780515) is 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(Sc2ncc[nH]2)nc1.
What is the InChIKey of 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone?
The InChIKey is VHZHWPZTVZQDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-7(14)8-2-3-9(13-6-8)15-10-11-4-5-12-10/h2-6H,1H3,(H,11,12).
What are the key properties of 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone?
1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone has a molecular weight of 219.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1H-imidazol-2-ylsulfanyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 107780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).