5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione

C10H10N2O3S — CID 2863954

IUPAC5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(NC2SC(=O)NC2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-15-7-4-2-6(3-5-7)11-9-8(13)12-10(14)16-9/h2-5,9,11H,1H3,(H,12,13,14)
InChIKeyHWTYNNHEBQBFOE-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.42
Rot. Bonds3

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

5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 2863954) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione
PubChem CID2863954
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(NC2SC(=O)NC2=O)cc1
InChIInChI=1S/C10H10N2O3S/c1-15-7-4-2-6(3-5-7)11-9-8(13)12-10(14)16-9/h2-5,9,11H,1H3,(H,12,13,14)
InChIKeyHWTYNNHEBQBFOE-UHFFFAOYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione (CID 2863954) is 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione is COc1ccc(NC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is HWTYNNHEBQBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-15-7-4-2-6(3-5-7)11-9-8(13)12-10(14)16-9/h2-5,9,11H,1H3,(H,12,13,14).
What are the key properties of 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione?
5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 238.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2863954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).