2-imino-5-phenacyl-1,3-thiazolidin-4-one

C11H10N2O2S — CID 138978177

IUPAC2-imino-5-phenacyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC(=O)c2ccccc2)S1
InChIInChI=1S/C11H10N2O2S/c12-11-13-10(15)9(16-11)6-8(14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,13,15)
InChIKeyMXAHRPXSWUWGBC-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.43
Rot. Bonds3

About 2-imino-5-phenacyl-1,3-thiazolidin-4-one

2-imino-5-phenacyl-1,3-thiazolidin-4-one (PubChem CID 138978177) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-imino-5-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-phenacyl-1,3-thiazolidin-4-one
PubChem CID138978177
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-imino-5-phenacyl-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC(=O)c2ccccc2)S1
InChIInChI=1S/C11H10N2O2S/c12-11-13-10(15)9(16-11)6-8(14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,13,15)
InChIKeyMXAHRPXSWUWGBC-UHFFFAOYSA-N
XLogP1.43
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-imino-5-phenacyl-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-imino-5-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-phenacyl-1,3-thiazolidin-4-one (CID 138978177) is 2-imino-5-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-phenacyl-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)C(CC(=O)c2ccccc2)S1.
What is the InChIKey of 2-imino-5-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is MXAHRPXSWUWGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-11-13-10(15)9(16-11)6-8(14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,13,15).
What are the key properties of 2-imino-5-phenacyl-1,3-thiazolidin-4-one?
2-imino-5-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 138978177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).