1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea

C10H9N3O2S — CID 54167895

IUPAC1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea
SMILESO=C1C=C(NC(=S)Nc2ccccn2)CO1
InChIInChI=1S/C10H9N3O2S/c14-9-5-7(6-15-9)12-10(16)13-8-3-1-2-4-11-8/h1-5H,6H2,(H2,11,12,13,16)
InChIKeyOSXWODMDTQDFNP-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.81
Rot. Bonds2

About 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea

1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea (PubChem CID 54167895) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea
PubChem CID54167895
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea
SMILESO=C1C=C(NC(=S)Nc2ccccn2)CO1
InChIInChI=1S/C10H9N3O2S/c14-9-5-7(6-15-9)12-10(16)13-8-3-1-2-4-11-8/h1-5H,6H2,(H2,11,12,13,16)
InChIKeyOSXWODMDTQDFNP-UHFFFAOYSA-N
XLogP0.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
pyridin-2-ylthiourea
CID 1490491
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658
1-(6-methyl-2-oxo-4-phenyl-1H-pyridin-3-yl)-3-pyridin-2-ylthiourea
CID 171934218
methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate
CID 726295
1-(2,3-dimethylphenyl)-3-pyridin-2-ylthiourea
CID 800382
1-[(Z)-benzylideneamino]-3-pyridin-2-ylthiourea
CID 5367275
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
1-[(1R,2R)-2-phenylcyclopropyl]-3-pyridin-2-ylthiourea
CID 54359421
1-(2-chloro-6-methylphenyl)-3-pyridin-2-ylthiourea
CID 10683964
pyridine;N-pyridin-2-ylacetamide
CID 67298573
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
CID 780336

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea (CID 54167895) is 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea is O=C1C=C(NC(=S)Nc2ccccn2)CO1.
What is the InChIKey of 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea?
The InChIKey is OSXWODMDTQDFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-9-5-7(6-15-9)12-10(16)13-8-3-1-2-4-11-8/h1-5H,6H2,(H2,11,12,13,16).
What are the key properties of 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea?
1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea has a molecular weight of 235.27 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-2H-furan-3-yl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 54167895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).