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

C16H13NO3S — CID 23125222

IUPAC3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H13NO3S/c18-15-11-21-16(19)17(15)10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyLNFVPUDZPFQHSG-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.67
Rot. Bonds4

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

3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 23125222) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID23125222
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H13NO3S/c18-15-11-21-16(19)17(15)10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKeyLNFVPUDZPFQHSG-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-phenoxyphenyl)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-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 23125222) is 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LNFVPUDZPFQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-15-11-21-16(19)17(15)10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2.
What are the key properties of 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 299.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).