2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one

C13H10N2O2S2 — CID 71326218

IUPAC2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(N=C2SCCS2)n1
InChIInChI=1S/C13H10N2O2S2/c16-11-8-10(9-4-2-1-3-5-9)17-12(14-11)15-13-18-6-7-19-13/h1-5,8H,6-7H2
InChIKeyVXCPPGODFSSJQF-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.17
Rot. Bonds2

About 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one

2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one (PubChem CID 71326218) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one
PubChem CID71326218
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC Name2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one
SMILESO=c1cc(-c2ccccc2)oc(N=C2SCCS2)n1
InChIInChI=1S/C13H10N2O2S2/c16-11-8-10(9-4-2-1-3-5-9)17-12(14-11)15-13-18-6-7-19-13/h1-5,8H,6-7H2
InChIKeyVXCPPGODFSSJQF-UHFFFAOYSA-N
XLogP3.17
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one?
The IUPAC name of 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one (CID 71326218) is 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one is O=c1cc(-c2ccccc2)oc(N=C2SCCS2)n1.
What is the InChIKey of 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one?
The InChIKey is VXCPPGODFSSJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c16-11-8-10(9-4-2-1-3-5-9)17-12(14-11)15-13-18-6-7-19-13/h1-5,8H,6-7H2.
What are the key properties of 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one?
2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one has a molecular weight of 290.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiolan-2-ylideneamino)-6-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 71326218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).