2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one

C13H14N2O2S — CID 135523655

IUPAC2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2cccc(C(C)=O)c2)NC1=O
InChIInChI=1S/C13H14N2O2S/c1-3-11-12(17)15-13(18-11)14-10-6-4-5-9(7-10)8(2)16/h4-7,11H,3H2,1-2H3,(H,14,15,17)
InChIKeyONZRBDJXJSBVOE-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one

2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 135523655) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one
PubChem CID135523655
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\c2cccc(C(C)=O)c2)NC1=O
InChIInChI=1S/C13H14N2O2S/c1-3-11-12(17)15-13(18-11)14-10-6-4-5-9(7-10)8(2)16/h4-7,11H,3H2,1-2H3,(H,14,15,17)
InChIKeyONZRBDJXJSBVOE-UHFFFAOYSA-N
XLogP2.52
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-acetylphenyl)imino-5-ethyl-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 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one (CID 135523655) is 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N\c2cccc(C(C)=O)c2)NC1=O.
What is the InChIKey of 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is ONZRBDJXJSBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-11-12(17)15-13(18-11)14-10-6-4-5-9(7-10)8(2)16/h4-7,11H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 262.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)imino-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).