4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

C22H18N2O3S — CID 123298980

IUPAC4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
SMILESCc1ccc(C(=O)C2C(=O)C(=O)N(c3nccs3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-13-3-7-15(8-4-13)18-17(19(25)16-9-5-14(2)6-10-16)20(26)21(27)24(18)22-23-11-12-28-22/h3-12,17-18H,1-2H3
InChIKeyUYSVEBDCHOSPJG-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione (PubChem CID 123298980) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
PubChem CID123298980
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
SMILESCc1ccc(C(=O)C2C(=O)C(=O)N(c3nccs3)C2c2ccc(C)cc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-13-3-7-15(8-4-13)18-17(19(25)16-9-5-14(2)6-10-16)20(26)21(27)24(18)22-23-11-12-28-22/h3-12,17-18H,1-2H3
InChIKeyUYSVEBDCHOSPJG-UHFFFAOYSA-N
XLogP3.92
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylbenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 91896456
1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 3444119
1-(1,3-thiazol-2-yl)-4-(thiophene-2-carbonyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 91930621
6-[4-(4-methylbenzoyl)-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 123947287
4-(4-ethoxybenzoyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
CID 3642407
4-benzoyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
CID 4747707
4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
CID 3732378
(5R)-4-[(4-fluorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
CID 980045
(4E,5S)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
CID 5428749
5-(4-tert-butylphenyl)-4-(4-methoxybenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
CID 4747666
(5S)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-methoxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione
CID 41201550
1-(5-methyl-1,3-thiazol-2-yl)-4-(4-propan-2-ylbenzoyl)-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 123418322

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione (CID 123298980) is 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is Cc1ccc(C(=O)C2C(=O)C(=O)N(c3nccs3)C2c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
The InChIKey is UYSVEBDCHOSPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-13-3-7-15(8-4-13)18-17(19(25)16-9-5-14(2)6-10-16)20(26)21(27)24(18)22-23-11-12-28-22/h3-12,17-18H,1-2H3.
What are the key properties of 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione?
4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione has a molecular weight of 390.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)-5-(4-methylphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123298980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).