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

C11H10N2O2S — CID 135402386

IUPAC2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)c1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C11H10N2O2S/c1-7(14)8-2-4-9(5-3-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyJFAQMPUQYZVFGP-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.74
Rot. Bonds2

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

2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135402386) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135402386
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)c1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C11H10N2O2S/c1-7(14)8-2-4-9(5-3-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15)
InChIKeyJFAQMPUQYZVFGP-UHFFFAOYSA-N
XLogP1.74
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-acetylphenyl)imino-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-(4-acetylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one (CID 135402386) is 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one is CC(=O)c1ccc(/N=C2/NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is JFAQMPUQYZVFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7(14)8-2-4-9(5-3-8)12-11-13-10(15)6-16-11/h2-5H,6H2,1H3,(H,12,13,15).
What are the key properties of 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one?
2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135402386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).