3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

C17H22N2O3S — CID 51981248

IUPAC3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C17H22N2O3S/c1-2-22-14-7-5-13(6-8-14)15-4-3-9-19(15)16(20)12-18-10-11-23-17(18)21/h5-8,15H,2-4,9-12H2,1H3/t15-/m1/s1
InChIKeyKWBITILSNHBWJW-OAHLLOKOSA-N
MW334.44 g/mol
LogP2.92
Rot. Bonds5

About 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one

3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (PubChem CID 51981248) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
PubChem CID51981248
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)CN2CCSC2=O)cc1
InChIInChI=1S/C17H22N2O3S/c1-2-22-14-7-5-13(6-8-14)15-4-3-9-19(15)16(20)12-18-10-11-23-17(18)21/h5-8,15H,2-4,9-12H2,1H3/t15-/m1/s1
InChIKeyKWBITILSNHBWJW-OAHLLOKOSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
3-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17417633
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
tert-butyl N-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]carbamate
CID 51257063
3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 41236885
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110898902
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
2-(benzotriazol-1-yl)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99865867
3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51982733

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one (CID 51981248) is 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is CCOc1ccc([C@H]2CCCN2C(=O)CN2CCSC2=O)cc1.
What is the InChIKey of 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
The InChIKey is KWBITILSNHBWJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-2-22-14-7-5-13(6-8-14)15-4-3-9-19(15)16(20)12-18-10-11-23-17(18)21/h5-8,15H,2-4,9-12H2,1H3/t15-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one?
3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one has a molecular weight of 334.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 51981248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).