5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione

C16H16N2O2S — CID 91226165

IUPAC5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H16N2O2S/c1-9-12(11-13(19)16(2,3)18-14(11)20)17-15(21-9)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,18,20)
InChIKeyDSFYWTPKKDNUMF-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.68
Rot. Bonds2

About 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione

5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione (PubChem CID 91226165) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione
PubChem CID91226165
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione
SMILESCc1sc(-c2ccccc2)nc1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H16N2O2S/c1-9-12(11-13(19)16(2,3)18-14(11)20)17-15(21-9)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,18,20)
InChIKeyDSFYWTPKKDNUMF-UHFFFAOYSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-azaspiro[4.5]decane-2,4-dione
CID 90766086
2,2,4,4-tetramethyl-6-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclohexane-1,3,5-trione
CID 59562436
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
CID 142928635
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-3-hydroxy-5,5-dimethylcyclohexan-1-one
CID 142182390
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
methyl 4-[4-[(1S,5S)-2,4-dioxo-3-bicyclo[3.2.1]octanyl]-5-methyl-1,3-thiazol-2-yl]benzoate
CID 88579720
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
1-[2,4-dimethyl-5-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-1H-pyrrol-3-yl]ethanone
CID 9398584
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041
2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
CID 22633505
4-methyl-2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 2795497

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione (CID 91226165) is 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione is Cc1sc(-c2ccccc2)nc1C1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione?
The InChIKey is DSFYWTPKKDNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-12(11-13(19)16(2,3)18-14(11)20)17-15(21-9)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,18,20).
What are the key properties of 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione?
5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione has a molecular weight of 300.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(5-methyl-2-phenyl-1,3-thiazol-4-yl)pyrrolidine-2,4-dione is sourced from PubChem (CID 91226165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).