2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one

C13H15ClN2O2S — CID 135989496

IUPAC2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-13(7-8-18-2)11(17)16-12(19-13)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyKRPUWAYZJMACIR-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.99
Rot. Bonds4

About 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135989496) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID135989496
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2O2S/c1-13(7-8-18-2)11(17)16-12(19-13)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyKRPUWAYZJMACIR-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-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-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one (CID 135989496) is 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one is COCCC1(C)S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is KRPUWAYZJMACIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-13(7-8-18-2)11(17)16-12(19-13)15-10-6-4-3-5-9(10)14/h3-6H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 298.79 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).