5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione

C18H17NO2S — CID 2731961

IUPAC5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1ccc(N2C(=O)SC(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO2S/c1-12(2)13-8-10-15(11-9-13)19-17(20)16(22-18(19)21)14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChIKeyGNTKEDKEKOCUDK-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.75
Rot. Bonds3

About 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione

5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2731961) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID2731961
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCC(C)c1ccc(N2C(=O)SC(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17NO2S/c1-12(2)13-8-10-15(11-9-13)19-17(20)16(22-18(19)21)14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChIKeyGNTKEDKEKOCUDK-UHFFFAOYSA-N
XLogP4.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione (CID 2731961) is 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione is CC(C)c1ccc(N2C(=O)SC(c3ccccc3)C2=O)cc1.
What is the InChIKey of 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is GNTKEDKEKOCUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-12(2)13-8-10-15(11-9-13)19-17(20)16(22-18(19)21)14-6-4-3-5-7-14/h3-12,16H,1-2H3.
What are the key properties of 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione?
5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 311.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(4-propan-2-ylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2731961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).