4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

C15H18N2O3S — CID 122137368

IUPAC4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C15H18N2O3S/c1-20-11-5-2-4-10(8-11)13-6-3-7-17(13)14(18)12-9-21-15(19)16-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,19)
InChIKeyZQHVGNPTPJWTRJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.18
Rot. Bonds3

About 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one

4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 122137368) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID122137368
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)C2CSC(=O)N2)c1
InChIInChI=1S/C15H18N2O3S/c1-20-11-5-2-4-10(8-11)13-6-3-7-17(13)14(18)12-9-21-15(19)16-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,19)
InChIKeyZQHVGNPTPJWTRJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
2-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 76894813
2-(azetidin-3-ylidene)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 116676267

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 122137368) is 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is COc1cccc(C2CCCN2C(=O)C2CSC(=O)N2)c1.
What is the InChIKey of 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is ZQHVGNPTPJWTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-20-11-5-2-4-10(8-11)13-6-3-7-17(13)14(18)12-9-21-15(19)16-12/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,16,19).
What are the key properties of 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one?
4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 306.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 122137368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).