2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C16H11Cl2FN2OS — CID 135459615

IUPAC2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)c(Cl)c2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2OS/c17-12-6-5-11(8-13(12)18)20-16-21-15(22)14(23-16)7-9-1-3-10(19)4-2-9/h1-6,8,14H,7H2,(H,20,21,22)
InChIKeyVOYKBPRMDKPXAU-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.59
Rot. Bonds3

About 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135459615) has the molecular formula C16H11Cl2FN2OS and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135459615
Molecular FormulaC16H11Cl2FN2OS
Molecular Weight369.25 g/mol
Exact Mass368.00
IUPAC Name2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(Cl)c(Cl)c2)SC1Cc1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2OS/c17-12-6-5-11(8-13(12)18)20-16-21-15(22)14(23-16)7-9-1-3-10(19)4-2-9/h1-6,8,14H,7H2,(H,20,21,22)
InChIKeyVOYKBPRMDKPXAU-UHFFFAOYSA-N
XLogP4.59
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)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-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135459615) is 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)SC1Cc1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is VOYKBPRMDKPXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2OS/c17-12-6-5-11(8-13(12)18)20-16-21-15(22)14(23-16)7-9-1-3-10(19)4-2-9/h1-6,8,14H,7H2,(H,20,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 369.25 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)imino-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135459615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).