3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

C17H22N2O3S — CID 51982733

IUPAC3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc([C@H]2CCCN2C(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C17H22N2O3S/c1-22-14-5-2-4-13(12-14)15-6-3-8-19(15)16(20)7-9-18-10-11-23-17(18)21/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1
InChIKeyBILKHJYGRNLSPG-OAHLLOKOSA-N
MW334.44 g/mol
LogP2.92
Rot. Bonds5

About 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one

3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (PubChem CID 51982733) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
PubChem CID51982733
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc([C@H]2CCCN2C(=O)CCN2CCSC2=O)c1
InChIInChI=1S/C17H22N2O3S/c1-22-14-5-2-4-13(12-14)15-6-3-8-19(15)16(20)7-9-18-10-11-23-17(18)21/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1
InChIKeyBILKHJYGRNLSPG-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'}

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 82013930
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
2-(2,6-dimethylheptan-4-yloxy)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176965602
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 122137368
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 70782142

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one (CID 51982733) is 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is COc1cccc([C@H]2CCCN2C(=O)CCN2CCSC2=O)c1.
What is the InChIKey of 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
The InChIKey is BILKHJYGRNLSPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-14-5-2-4-13(12-14)15-6-3-8-19(15)16(20)7-9-18-10-11-23-17(18)21/h2,4-5,12,15H,3,6-11H2,1H3/t15-/m1/s1.
What are the key properties of 3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one?
3-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-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-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 51982733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).