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

C21H22FN3O3S — CID 126462470

IUPAC3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2F)C1=O
InChIInChI=1S/C21H22FN3O3S/c1-24-17(26)12-21(20(24)28,14-6-2-3-7-15(14)22)13-18(27)25-10-5-4-8-16(25)19-23-9-11-29-19/h2-3,6-7,9,11,16H,4-5,8,10,12-13H2,1H3
InChIKeyGPYWMYGRDJCERT-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.05
Rot. Bonds4

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

3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 126462470) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID126462470
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2F)C1=O
InChIInChI=1S/C21H22FN3O3S/c1-24-17(26)12-21(20(24)28,14-6-2-3-7-15(14)22)13-18(27)25-10-5-4-8-16(25)19-23-9-11-29-19/h2-3,6-7,9,11,16H,4-5,8,10,12-13H2,1H3
InChIKeyGPYWMYGRDJCERT-UHFFFAOYSA-N
XLogP3.05
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 126462470) is 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CN1C(=O)CC(CC(=O)N2CCCCC2c2nccs2)(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is GPYWMYGRDJCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-24-17(26)12-21(20(24)28,14-6-2-3-7-15(14)22)13-18(27)25-10-5-4-8-16(25)19-23-9-11-29-19/h2-3,6-7,9,11,16H,4-5,8,10,12-13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 415.49 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 126462470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).