5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

C16H13NO3S — CID 3681700

IUPAC5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1
InChIInChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18,19)
InChIKeyCEZZBCMZOCJIEY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.37
Rot. Bonds4

About 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 3681700) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID3681700
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1
InChIInChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18,19)
InChIKeyCEZZBCMZOCJIEY-UHFFFAOYSA-N
XLogP3.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ciglitazone
CID 2750
Englitazone
CID 6918151
Azemiglitazone
CID 25230266
5-(3-Phenoxybenzylidene)thiazolidine-2,4-dione
CID 1350369
Tzd18
CID 9827261
Ploglitazone
CID 12944192
5-[[4-(4-Hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10200104
Ciglitazone, (R)-
CID 6604850
5-[3-Fluoro-4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9805806
5-[4-[3-(4-Phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826325
5-[3-[4-(4-Phenoxy-2-propylphenoxy)butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826930
5-[4-[4-(4-Phenoxy-2-propylphenoxy)butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9870252

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 3681700) is 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2cccc(Oc3ccccc3)c2)S1.
What is the InChIKey of 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CEZZBCMZOCJIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)10-11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,17,18,19).
What are the key properties of 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 299.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3681700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).