3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C22H24FN3O4S — CID 45176629

IUPAC3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCCC2c2nccs2)(c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O4S/c1-30-11-10-26-19(28)14-22(21(26)29,15-5-2-3-6-16(15)23)13-18(27)25-9-4-7-17(25)20-24-8-12-31-20/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3
InChIKeyKPCFJKVPRZVCEU-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.68
Rot. Bonds7

About 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 45176629) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID45176629
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCCC2c2nccs2)(c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O4S/c1-30-11-10-26-19(28)14-22(21(26)29,15-5-2-3-6-16(15)23)13-18(27)25-9-4-7-17(25)20-24-8-12-31-20/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3
InChIKeyKPCFJKVPRZVCEU-UHFFFAOYSA-N
XLogP2.68
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 45176629) is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is COCCN1C(=O)CC(CC(=O)N2CCCC2c2nccs2)(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is KPCFJKVPRZVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-30-11-10-26-19(28)14-22(21(26)29,15-5-2-3-6-16(15)23)13-18(27)25-9-4-7-17(25)20-24-8-12-31-20/h2-3,5-6,8,12,17H,4,7,9-11,13-14H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 445.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45176629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).