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

C16H14N2O2S — CID 3107998

IUPAC5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)18-15(19)14(21-16(18)20)17-12-5-3-2-4-6-12/h2-10,14,17H,1H3
InChIKeyHIERSLZHYIQVLR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.63
Rot. Bonds3

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

5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 3107998) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID3107998
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)SC(Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)18-15(19)14(21-16(18)20)17-12-5-3-2-4-6-12/h2-10,14,17H,1H3
InChIKeyHIERSLZHYIQVLR-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-[[(5R)-3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 1380331
(5R)-5-(4-ethoxyanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1380334
5-(3,4-dimethylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 4314557
(5R)-5-(3-chloro-4-methylanilino)-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 1349788
(5S)-3-(4-fluorophenyl)-5-(3-methylanilino)-1,3-thiazolidine-2,4-dione
CID 42415968
3-(4-methylphenyl)-5-(2-nitroanilino)-1,3-thiazolidine-2,4-dione
CID 3413736
(5R)-5-(2-methylanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7345725
(5S)-3-(4-bromophenyl)-5-(2-methylanilino)-1,3-thiazolidine-2,4-dione
CID 1202327
4-[[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]benzoic acid
CID 3446167
(5R)-5-(4-chloroanilino)-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 42426561
(5S)-5-(2-fluoroanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 7161149
5-(2-bromoanilino)-3-phenyl-1,3-thiazolidine-2,4-dione
CID 3123235

Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione (CID 3107998) is 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(N2C(=O)SC(Nc3ccccc3)C2=O)cc1.
What is the InChIKey of 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HIERSLZHYIQVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-7-9-13(10-8-11)18-15(19)14(21-16(18)20)17-12-5-3-2-4-6-12/h2-10,14,17H,1H3.
What are the key properties of 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione?
5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 298.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-(4-methylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3107998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).