(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

C12H12N2O3S — CID 5415554

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1O
InChIInChI=1S/C12H12N2O3S/c1-14-11(16)8(13-12(14)18)5-7-3-4-9(15)10(6-7)17-2/h3-6,15H,1-2H3,(H,13,18)/b8-5-
InChIKeyRYSHBQZAFOJVCW-YVMONPNESA-N
MW264.31 g/mol
LogP1.09
Rot. Bonds2

About (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5415554) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5415554
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1O
InChIInChI=1S/C12H12N2O3S/c1-14-11(16)8(13-12(14)18)5-7-3-4-9(15)10(6-7)17-2/h3-6,15H,1-2H3,(H,13,18)/b8-5-
InChIKeyRYSHBQZAFOJVCW-YVMONPNESA-N
XLogP1.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 6092913
5-Piperonylidene-2-thiohydantoin
CID 745583
5-Vanillylidenehydantoin
CID 291123
(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-hydroxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 10059907
(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
CID 2189796
(5Z)-5-[(2E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-thioxoimidazolidin-4-one
CID 2057001
(5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5433603
(5Z)-5-{4-[(3-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-2-thioxoimidazolidin-4-one
CID 5851045
(5E)-3-[(2-fluorophenyl)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5856637
polyandrocarpamine A
CID 135519301

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 5415554) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is COc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is RYSHBQZAFOJVCW-YVMONPNESA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-14-11(16)8(13-12(14)18)5-7-3-4-9(15)10(6-7)17-2/h3-6,15H,1-2H3,(H,13,18)/b8-5-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 264.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5415554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).