1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C20H23N3O3S — CID 51318545

IUPAC1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)Cc2csc(N3CCCC3=O)n2)c1
InChIInChI=1S/C20H23N3O3S/c1-26-16-6-2-5-14(11-16)17-7-3-9-22(17)19(25)12-15-13-27-20(21-15)23-10-4-8-18(23)24/h2,5-6,11,13,17H,3-4,7-10,12H2,1H3
InChIKeyOEAWWASDCSFSQX-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.18
Rot. Bonds5

About 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 51318545) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID51318545
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(C2CCCN2C(=O)Cc2csc(N3CCCC3=O)n2)c1
InChIInChI=1S/C20H23N3O3S/c1-26-16-6-2-5-14(11-16)17-7-3-9-22(17)19(25)12-15-13-27-20(21-15)23-10-4-8-18(23)24/h2,5-6,11,13,17H,3-4,7-10,12H2,1H3
InChIKeyOEAWWASDCSFSQX-UHFFFAOYSA-N
XLogP3.18
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 75866663
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 70782142
1-[4-[(E)-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]phenyl]pyrrolidin-2-one
CID 24613723
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
1-[4-[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 26703248
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 46975041
1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 51600193
1-[4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one;dihydrochloride
CID 119467711
1-[4-[2-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 97075391
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 51318545) is 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is COc1cccc(C2CCCN2C(=O)Cc2csc(N3CCCC3=O)n2)c1.
What is the InChIKey of 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is OEAWWASDCSFSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-26-16-6-2-5-14(11-16)17-7-3-9-22(17)19(25)12-15-13-27-20(21-15)23-10-4-8-18(23)24/h2,5-6,11,13,17H,3-4,7-10,12H2,1H3.
What are the key properties of 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 385.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 51318545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).