(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C19H18N2O3S — CID 135850180

IUPAC(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12+
InChIKeyAJFDWEQDLDYBTE-SFQUDFHCSA-N
MW354.43 g/mol
LogP3.99
Rot. Bonds5

About (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135850180) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135850180
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OC
InChIInChI=1S/C19H18N2O3S/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12+
InChIKeyAJFDWEQDLDYBTE-SFQUDFHCSA-N
XLogP3.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-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 (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135850180) is (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1OC.
What is the InChIKey of (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is AJFDWEQDLDYBTE-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21-19(25-17)20-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21,22)/b17-12+.
What are the key properties of (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 354.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135850180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).