1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C23H27N3O3S — CID 45165812

IUPAC1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2C)C1=O
InChIInChI=1S/C23H27N3O3S/c1-3-25-19(27)14-23(22(25)29,17-9-5-4-8-16(17)2)15-20(28)26-12-7-6-10-18(26)21-24-11-13-30-21/h4-5,8-9,11,13,18H,3,6-7,10,12,14-15H2,1-2H3
InChIKeyZJHWJUIAFONBMI-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.61
Rot. Bonds5

About 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 45165812) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID45165812
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2C)C1=O
InChIInChI=1S/C23H27N3O3S/c1-3-25-19(27)14-23(22(25)29,17-9-5-4-8-16(17)2)15-20(28)26-12-7-6-10-18(26)21-24-11-13-30-21/h4-5,8-9,11,13,18H,3,6-7,10,12,14-15H2,1-2H3
InChIKeyZJHWJUIAFONBMI-UHFFFAOYSA-N
XLogP3.61
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45196749
(3R)-3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42168306
(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 26281154
(3S)-1-cyclopentyl-3-(2-fluorophenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125168614
(3R)-3-[2-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 42483437
(3S)-3-[2-[(2S)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,5-dione
CID 42483438
(3S)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125167940
(3S)-3-(3-fluorophenyl)-3-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
CID 42379947
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
(3R)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248146
(3S)-1-ethyl-3-[2-[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42248144
(3R)-3-[2-[(1S,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-oxoethyl]-1-ethyl-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 98245443

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 45165812) is 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CCN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2C)C1=O.
What is the InChIKey of 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is ZJHWJUIAFONBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-3-25-19(27)14-23(22(25)29,17-9-5-4-8-16(17)2)15-20(28)26-12-7-6-10-18(26)21-24-11-13-30-21/h4-5,8-9,11,13,18H,3,6-7,10,12,14-15H2,1-2H3.
What are the key properties of 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 425.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45165812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).