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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Related Compounds

[4-Amino-2-(Propan-2-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 71662400
[4-Amino-2-(Prop-2-En-1-Ylamino)-1,3-Thiazol-5-Yl](Pyridin-3-Yl)methanone
CID 71661878
1H-imidazol-2-yl(pyridin-3-yl)methanone
CID 7147291
5-chloro-N-ethyl-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboxamide
CID 53551693
5-Methyl-1'-{[2-(methylthio)pyridin-3-yl]carbonyl}-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72847902
5-{[2-(methylthio)pyridin-3-yl]carbonyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72874787
5-Ethyl-1'-{[2-(methylthio)pyridin-3-yl]carbonyl}-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72876079
2-(difluoromethylsulfanyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 72043124
N-[1-(4-methyl-1H-imidazol-2-yl)ethyl]-2-(methylthio)nicotinamide
CID 91791541
1-(6-{[3-(2-ethyl-1H-imidazol-1-yl)propyl]amino}pyridin-3-yl)ethanone
CID 132422882
(2-fluoropyridin-3-yl)(1H-imidazol-4-yl)methanone
CID 57690530
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethanone
CID 24622851

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).