3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C10H7ClFNO2S — CID 3155224

IUPAC3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H7ClFNO2S/c11-8-3-7(12)2-1-6(8)4-13-9(14)5-16-10(13)15/h1-3H,4-5H2
InChIKeyCHUDZUAAVIJXME-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.67
Rot. Bonds2

About 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3155224) has the molecular formula C10H7ClFNO2S and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID3155224
Molecular FormulaC10H7ClFNO2S
Molecular Weight259.69 g/mol
Exact Mass258.99
IUPAC Name3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H7ClFNO2S/c11-8-3-7(12)2-1-6(8)4-13-9(14)5-16-10(13)15/h1-3H,4-5H2
InChIKeyCHUDZUAAVIJXME-UHFFFAOYSA-N
XLogP2.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione 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 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 3155224) is 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CHUDZUAAVIJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2S/c11-8-3-7(12)2-1-6(8)4-13-9(14)5-16-10(13)15/h1-3H,4-5H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 259.69 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3155224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).