2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione

C20H23N3O4S — CID 59940867

IUPAC2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1C(=O)N1CCSC1
InChIInChI=1S/C20H23N3O4S/c1-13(11-23-18(25)14-5-2-3-6-15(14)19(23)26)17(24)22-8-4-7-16(22)20(27)21-9-10-28-12-21/h2-3,5-6,13,16H,4,7-12H2,1H3
InChIKeyUKNDGSRNOJDPPT-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione

2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 59940867) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID59940867
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESCC(CN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1C(=O)N1CCSC1
InChIInChI=1S/C20H23N3O4S/c1-13(11-23-18(25)14-5-2-3-6-15(14)19(23)26)17(24)22-8-4-7-16(22)20(27)21-9-10-28-12-21/h2-3,5-6,13,16H,4,7-12H2,1H3
InChIKeyUKNDGSRNOJDPPT-UHFFFAOYSA-N
XLogP1.44
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.44
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

[(2S)-1-(1H-indene-2-carbonyl)pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 54381755
[1-[9H-fluoren-9-ylmethoxy(hydroxy)methyl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 123245289
(2R)-1-[3-(1,3-dioxoisoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 164643870
4-methyl-2-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 59940987
2-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]isoindole-1,3-dione
CID 22028905
benzyl (3R)-3-methyl-4-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-4-oxobutanoate
CID 159767794
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 124692471
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
tert-butyl (2S)-1-[(2S)-2-[[(2S)-11-(1,3-dioxoisoindol-2-yl)-1-ethoxy-1-oxoundecan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate
CID 14723811
(2S)-1-(5-amino-2-methyl-4-oxo-6-phenylhexanoyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 70520069
(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 67395242

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione (CID 59940867) is 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione is CC(CN1C(=O)c2ccccc2C1=O)C(=O)N1CCCC1C(=O)N1CCSC1.
What is the InChIKey of 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is UKNDGSRNOJDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13(11-23-18(25)14-5-2-3-6-15(14)19(23)26)17(24)22-8-4-7-16(22)20(27)21-9-10-28-12-21/h2-3,5-6,13,16H,4,7-12H2,1H3.
What are the key properties of 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione?
2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 401.49 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-oxo-3-[2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 59940867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).