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

C10H10N2O2S — CID 2770839

IUPAC5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(NC2SC(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2S/c1-6-3-2-4-7(5-6)11-9-8(13)12-10(14)15-9/h2-5,9,11H,1H3,(H,12,13,14)
InChIKeyPUQNPNSSJGZZIS-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.72
Rot. Bonds2

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

5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 2770839) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
PubChem CID2770839
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(NC2SC(=O)NC2=O)c1
InChIInChI=1S/C10H10N2O2S/c1-6-3-2-4-7(5-6)11-9-8(13)12-10(14)15-9/h2-5,9,11H,1H3,(H,12,13,14)
InChIKeyPUQNPNSSJGZZIS-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
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-methylanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione (CID 2770839) is 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is Cc1cccc(NC2SC(=O)NC2=O)c1.
What is the InChIKey of 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is PUQNPNSSJGZZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-3-2-4-7(5-6)11-9-8(13)12-10(14)15-9/h2-5,9,11H,1H3,(H,12,13,14).
What are the key properties of 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione?
5-(3-methylanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2770839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).