5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

C17H15NO2S — CID 3976167

IUPAC5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)18-16(19)15(21-17(18)20)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyFREQJMOEDUGQIE-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.81
Rot. Bonds3

About 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione

5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 3976167) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID3976167
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)18-16(19)15(21-17(18)20)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyFREQJMOEDUGQIE-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
5-[(4-Aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 2768377
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
3-p-Tolylrhodanine
CID 99568
8-Ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 703600
S-[2-(methylanilino)-2-oxoethyl] benzenecarbothioate
CID 820087
CID 2826089
CID 2826089
1-Phenyl-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2865487
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
5-Benzyl-3-phenylthiazolidine-2,4-dione
CID 290163

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 3976167) is 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)SC(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FREQJMOEDUGQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-7-9-14(10-8-12)18-16(19)15(21-17(18)20)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3.
What are the key properties of 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 297.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3976167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).