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

C13H15NO3S — CID 22649565

IUPAC5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyFEATURFTQUCKTG-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.37
Rot. Bonds5

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

5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 22649565) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID22649565
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCCCOc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16)
InChIKeyFEATURFTQUCKTG-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.37
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
Risarestat
CID 133264
Englitazone
CID 6918151
2,5-Pyrrolidinedione, 3-(4-(1-methylethoxy)phenyl)-
CID 214258
5-(4-Hydroxybenzyl)thiazolidine-2,4-dione
CID 10198397
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
Ploglitazone
CID 12944192
Cay10506
CID 9955612
Ciglitazone, (R)-
CID 6604850
N-[2-[4-[(2,4-Dioxo-5-thiazolidinyl)methyl]phenoxy]ethyl]-N-methyl-1,2-dithiolane-3-pentanamide
CID 9804695
5-[4-[3-(4-Phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826325

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 22649565) is 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is CCCOc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FEATURFTQUCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,11H,2,7-8H2,1H3,(H,14,15,16).
What are the key properties of 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 265.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 22649565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).