3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one

C6H5N3O2S — CID 130678433

IUPAC3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccon1
InChIInChI=1S/C6H5N3O2S/c10-5-3-7-6(12)9(5)4-1-2-11-8-4/h1-2H,3H2,(H,7,12)
InChIKeyKFNFRXIHBTZXCD-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.10
Rot. Bonds1

About 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one

3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 130678433) has the molecular formula C6H5N3O2S and a molecular weight of 183.19 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one
PubChem CID130678433
Molecular FormulaC6H5N3O2S
Molecular Weight183.19 g/mol
Exact Mass183.01
IUPAC Name3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1c1ccon1
InChIInChI=1S/C6H5N3O2S/c10-5-3-7-6(12)9(5)4-1-2-11-8-4/h1-2H,3H2,(H,7,12)
InChIKeyKFNFRXIHBTZXCD-UHFFFAOYSA-N
XLogP-0.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one (CID 130678433) is 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1c1ccon1.
What is the InChIKey of 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KFNFRXIHBTZXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2S/c10-5-3-7-6(12)9(5)4-1-2-11-8-4/h1-2H,3H2,(H,7,12).
What are the key properties of 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one?
3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 183.19 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-yl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 130678433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).