5-anilino-3-methyl-1,3-thiazolidine-2,4-dione

C10H10N2O2S — CID 3155772

IUPAC5-anilino-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(Nc2ccccc2)C1=O
InChIInChI=1S/C10H10N2O2S/c1-12-9(13)8(15-10(12)14)11-7-5-3-2-4-6-7/h2-6,8,11H,1H3
InChIKeyNYONKYOVBVHEOI-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.75
Rot. Bonds2

About 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione

5-anilino-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 3155772) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-anilino-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID3155772
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-anilino-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)SC(Nc2ccccc2)C1=O
InChIInChI=1S/C10H10N2O2S/c1-12-9(13)8(15-10(12)14)11-7-5-3-2-4-6-7/h2-6,8,11H,1H3
InChIKeyNYONKYOVBVHEOI-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.75
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-anilino-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione (CID 3155772) is 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)SC(Nc2ccccc2)C1=O.
What is the InChIKey of 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is NYONKYOVBVHEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-12-9(13)8(15-10(12)14)11-7-5-3-2-4-6-7/h2-6,8,11H,1H3.
What are the key properties of 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione?
5-anilino-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3155772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).