(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C14H14N2O3S — CID 834827

IUPAC(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESC=CCc1cc(/C=C2/NC(=S)NC2=O)cc(OC)c1O
InChIInChI=1S/C14H14N2O3S/c1-3-4-9-5-8(7-11(19-2)12(9)17)6-10-13(18)16-14(20)15-10/h3,5-7,17H,1,4H2,2H3,(H2,15,16,18,20)/b10-6+
InChIKeySMXOWEBIHZGJJH-UXBLZVDNSA-N
MW290.34 g/mol
LogP1.47
Rot. Bonds4

About (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 834827) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID834827
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESC=CCc1cc(/C=C2/NC(=S)NC2=O)cc(OC)c1O
InChIInChI=1S/C14H14N2O3S/c1-3-4-9-5-8(7-11(19-2)12(9)17)6-10-13(18)16-14(20)15-10/h3,5-7,17H,1,4H2,2H3,(H2,15,16,18,20)/b10-6+
InChIKeySMXOWEBIHZGJJH-UXBLZVDNSA-N
XLogP1.47
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-Vanillylidenehydantoin
CID 291123
methyl 2-[(4E)-4-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6302332
(5Z)-5-(2-hydroxy-3-methoxybenzylidene)imidazolidine-2,4-dione
CID 6922771
5-(4-Hydroxy-3-methoxybenzylidene)-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 822704
(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
CID 2189796
polyandrocarpamine A
CID 135519301
5-[(3-Hydroxy-4-methoxy-phenyl)methylidene]imidazolidine-2,4-dione
CID 317415
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 717415
(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxoimidazolidin-4-one
CID 2246840
5-(3-Allyl-5-ethoxy-4-hydroxybenzylidene)-2,4-imidazolidinedione
CID 881554
(5E)-3-butyl-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxoimidazolidin-4-one
CID 1798532
5-(4-Hydroxy-3-methoxybenzylidene)-3-methyl-2-thioxo-4-imidazolidinone
CID 5415554

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 834827) is (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is C=CCc1cc(/C=C2/NC(=S)NC2=O)cc(OC)c1O.
What is the InChIKey of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SMXOWEBIHZGJJH-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-4-9-5-8(7-11(19-2)12(9)17)6-10-13(18)16-14(20)15-10/h3,5-7,17H,1,4H2,2H3,(H2,15,16,18,20)/b10-6+.
What are the key properties of (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 290.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 834827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).