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

C11H10N2O3S — CID 2246840

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(=S)NC2=O)ccc1O
InChIInChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-
InChIKeyKLXSKUUJNRMADB-DAXSKMNVSA-N
MW250.28 g/mol
LogP0.75
Rot. Bonds2

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

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2246840) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2246840
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1cc(/C=C2\NC(=S)NC2=O)ccc1O
InChIInChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-
InChIKeyKLXSKUUJNRMADB-DAXSKMNVSA-N
XLogP0.75
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
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

5-Vanillylidene-2-thiobarbituric acid
CID 5285855
5-Piperonylidene-2-thiohydantoin
CID 745583
5-Vanillylidenehydantoin
CID 291123
(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1379698
5-(4-Hydroxy-3-methoxybenzylidene)rhodanine
CID 2831603
(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-(4-hydroxy-3-methoxybenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
CID 1268920
(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
polyandrocarpamine A
CID 135519301

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2246840) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is COc1cc(/C=C2\NC(=S)NC2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is KLXSKUUJNRMADB-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 250.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2246840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).