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

C11H10N2O2S — CID 5415539

IUPAC(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2O)NC1=S
InChIInChI=1S/C11H10N2O2S/c1-13-10(15)8(12-11(13)16)6-7-4-2-3-5-9(7)14/h2-6,14H,1H3,(H,12,16)/b8-6-
InChIKeyVOFPRCCRBAFVAN-VURMDHGXSA-N
MW234.28 g/mol
LogP1.08
Rot. Bonds1

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

(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5415539) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5415539
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1C(=O)/C(=C/c2ccccc2O)NC1=S
InChIInChI=1S/C11H10N2O2S/c1-13-10(15)8(12-11(13)16)6-7-4-2-3-5-9(7)14/h2-6,14H,1H3,(H,12,16)/b8-6-
InChIKeyVOFPRCCRBAFVAN-VURMDHGXSA-N
XLogP1.08
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one (CID 5415539) is (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2O)NC1=S.
What is the InChIKey of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is VOFPRCCRBAFVAN-VURMDHGXSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-13-10(15)8(12-11(13)16)6-7-4-2-3-5-9(7)14/h2-6,14H,1H3,(H,12,16)/b8-6-.
What are the key properties of (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5415539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).