5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

C18H18N2O2S — CID 16643922

IUPAC5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCN(c1ccccc1)C1SC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H18N2O2S/c1-3-19(14-10-5-4-6-11-14)17-16(21)20(18(22)23-17)15-12-8-7-9-13(15)2/h4-12,17H,3H2,1-2H3
InChIKeyMJPHEZDHFXCQMF-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.05
Rot. Bonds4

About 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione

5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 16643922) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID16643922
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCN(c1ccccc1)C1SC(=O)N(c2ccccc2C)C1=O
InChIInChI=1S/C18H18N2O2S/c1-3-19(14-10-5-4-6-11-14)17-16(21)20(18(22)23-17)15-12-8-7-9-13(15)2/h4-12,17H,3H2,1-2H3
InChIKeyMJPHEZDHFXCQMF-UHFFFAOYSA-N
XLogP4.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
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-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 16643922) is 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is CCN(c1ccccc1)C1SC(=O)N(c2ccccc2C)C1=O.
What is the InChIKey of 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is MJPHEZDHFXCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-19(14-10-5-4-6-11-14)17-16(21)20(18(22)23-17)15-12-8-7-9-13(15)2/h4-12,17H,3H2,1-2H3.
What are the key properties of 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 326.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16643922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).