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

C18H18N2O2S — CID 3446060

IUPAC3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Nc3ccccc3C)C2=O)cc1C
InChIInChI=1S/C18H18N2O2S/c1-11-8-9-14(10-13(11)3)20-17(21)16(23-18(20)22)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3
InChIKeyDBXUMOGOXRGVEA-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.25
Rot. Bonds3

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

3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 3446060) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
PubChem CID3446060
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Nc3ccccc3C)C2=O)cc1C
InChIInChI=1S/C18H18N2O2S/c1-11-8-9-14(10-13(11)3)20-17(21)16(23-18(20)22)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3
InChIKeyDBXUMOGOXRGVEA-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.25
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 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione (CID 3446060) is 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)SC(Nc3ccccc3C)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is DBXUMOGOXRGVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-11-8-9-14(10-13(11)3)20-17(21)16(23-18(20)22)19-15-7-5-4-6-12(15)2/h4-10,16,19H,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione?
3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 326.42 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3446060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).