5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one

C22H22N2O3S — CID 69082685

IUPAC5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C22H22N2O3S/c1-26-18-7-4-8-19(27-2)21(18)17-9-10-20(25)24(17)14-15-5-3-6-16(13-15)22-23-11-12-28-22/h3-8,11-13,17H,9-10,14H2,1-2H3
InChIKeyWGNLFQZODGJQMF-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.69
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69082685) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID69082685
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(-c2nccs2)c1
InChIInChI=1S/C22H22N2O3S/c1-26-18-7-4-8-19(27-2)21(18)17-9-10-20(25)24(17)14-15-5-3-6-16(13-15)22-23-11-12-28-22/h3-8,11-13,17H,9-10,14H2,1-2H3
InChIKeyWGNLFQZODGJQMF-UHFFFAOYSA-N
XLogP4.69
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,6-Dimethoxyphenyl)-1-((2-(thiazol-2-yl)pyridin-4-yl)methyl)piperidin-2-one
CID 69081742
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-4-yl)methyl)piperidin-2-one
CID 69082510
6-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one
CID 69082516
7-(2,6-Dimethoxyphenyl)-1-(3-(5-methylthiazol-2-yl)benzyl)azepan-2-one
CID 69082598
7-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)azepan-2-one
CID 69082689
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-phenylthiazol-4-yl)methyl)pyrrolidin-2-one
CID 69080909
6-(2,6-Dimethoxyphenyl)-1-((2-phenylthiazol-5-yl)methyl)piperidin-2-one
CID 69082410
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(3-(thiazol-2-yl)benzyl)pyrrolidin-2-one
CID 69082556
5-(2,6-Dimethoxyphenyl)-1-(4-((4-methylthiazol-2-yl)oxy)benzyl)pyrrolidin-2-one
CID 69082624
5-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)pyrrolidin-2-one
CID 69082708
6-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-4-yl)benzyl)piperidin-2-one
CID 69082719
6-(2,6-Dimethoxyphenyl)-1-(3-(thiazol-5-yl)benzyl)piperidin-2-one
CID 69082749

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one (CID 69082685) is 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(-c2nccs2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is WGNLFQZODGJQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-26-18-7-4-8-19(27-2)21(18)17-9-10-20(25)24(17)14-15-5-3-6-16(13-15)22-23-11-12-28-22/h3-8,11-13,17H,9-10,14H2,1-2H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 394.50 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69082685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).