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

C17H16N2O2S — CID 4314557

IUPAC5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C17H16N2O2S/c1-11-8-9-13(10-12(11)2)18-15-16(20)19(17(21)22-15)14-6-4-3-5-7-14/h3-10,15,18H,1-2H3
InChIKeyFZAYVAAGNHTEDS-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.94
Rot. Bonds3

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

5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 4314557) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID4314557
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C17H16N2O2S/c1-11-8-9-13(10-12(11)2)18-15-16(20)19(17(21)22-15)14-6-4-3-5-7-14/h3-10,15,18H,1-2H3
InChIKeyFZAYVAAGNHTEDS-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.94
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-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione (CID 4314557) is 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is Cc1ccc(NC2SC(=O)N(c3ccccc3)C2=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is FZAYVAAGNHTEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-8-9-13(10-12(11)2)18-15-16(20)19(17(21)22-15)14-6-4-3-5-7-14/h3-10,15,18H,1-2H3.
What are the key properties of 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione?
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4314557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).