5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one

C18H16N2O3S — CID 135531039

IUPAC5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESCOc1ccc(C=C2SC(=O)N/C2=N\c2ccccc2)c(OC)c1
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(20-18(21)24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)
InChIKeySEVJZOXAYATVDK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.23
Rot. Bonds4

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

5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135531039) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135531039
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESCOc1ccc(C=C2SC(=O)N/C2=N\c2ccccc2)c(OC)c1
InChIInChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(20-18(21)24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)
InChIKeySEVJZOXAYATVDK-UHFFFAOYSA-N
XLogP4.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-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 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one (CID 135531039) is 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is COc1ccc(C=C2SC(=O)N/C2=N\c2ccccc2)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is SEVJZOXAYATVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-22-14-9-8-12(15(11-14)23-2)10-16-17(20-18(21)24-16)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 340.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylidene]-4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135531039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).