2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one

C10H8Cl2N2OS — CID 126476186

IUPAC2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c1-14-9(15)5-16-10(14)13-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3/b13-10-
InChIKeyZMLGOGDFSOPPSG-RAXLEYEMSA-N
MW275.16 g/mol
LogP3.19
Rot. Bonds1

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

2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (PubChem CID 126476186) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
PubChem CID126476186
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
SMILESCN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2OS/c1-14-9(15)5-16-10(14)13-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3/b13-10-
InChIKeyZMLGOGDFSOPPSG-RAXLEYEMSA-N
XLogP3.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)imino-3-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-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one (CID 126476186) is 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is CN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is ZMLGOGDFSOPPSG-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-14-9(15)5-16-10(14)13-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3/b13-10-.
What are the key properties of 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 275.16 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 126476186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).