1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C13H14N2O2S — CID 91972530

IUPAC1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(c2cccc(OC)c2)C1=S
InChIInChI=1S/C13H14N2O2S/c1-3-7-14-12(16)9-15(13(14)18)10-5-4-6-11(8-10)17-2/h3-6,8H,1,7,9H2,2H3
InChIKeyTUPPBUFODAVTFW-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 91972530) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID91972530
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)CN(c2cccc(OC)c2)C1=S
InChIInChI=1S/C13H14N2O2S/c1-3-7-14-12(16)9-15(13(14)18)10-5-4-6-11(8-10)17-2/h3-6,8H,1,7,9H2,2H3
InChIKeyTUPPBUFODAVTFW-UHFFFAOYSA-N
XLogP1.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-4-phenoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 87951783
(5E)-5-[(3-methoxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126145833
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
6-(hydroxymethyl)-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009739
3-(3-methoxyphenyl)-5,5-dioxo-1-prop-2-enyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 23739537
1-(3-methoxyphenyl)pyrrolidine-2-thione
CID 14089758
6-ethoxy-4-(3-methoxyphenyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42790599
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
(5Z)-5-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126104864
1-[(3aR,6aS)-1-prop-2-enyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-(3-methoxyphenyl)ethanone
CID 97458931
1-(3-methoxyphenyl)-3-methyl-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperazin-2-one
CID 46988297
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 91972530) is 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)CN(c2cccc(OC)c2)C1=S.
What is the InChIKey of 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is TUPPBUFODAVTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-7-14-12(16)9-15(13(14)18)10-5-4-6-11(8-10)17-2/h3-6,8H,1,7,9H2,2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 262.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 91972530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).