5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H21NO3S — CID 12944192

IUPAC5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,18H,2,11-13H2,1H3,(H,21,22,23)
InChIKeyCZKMWGGUVIBIOI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.76
Rot. Bonds7

About 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 12944192) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID12944192
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC Name5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,18H,2,11-13H2,1H3,(H,21,22,23)
InChIKeyCZKMWGGUVIBIOI-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 12944192) is 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CZKMWGGUVIBIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-2-14-3-5-15(6-4-14)11-12-24-17-9-7-16(8-10-17)13-18-19(22)21-20(23)25-18/h3-10,18H,2,11-13H2,1H3,(H,21,22,23).
What are the key properties of 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 355.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-ethylphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 12944192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).