5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one

C24H26N2O3S — CID 69083626

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-11-20(23-21(28-3)9-6-10-22(23)29-4)26(24(15)27)13-17-7-5-8-18(12-17)19-14-30-16(2)25-19/h5-10,12,14-15,20H,11,13H2,1-4H3
InChIKeyLRUWAFBAMKJJRR-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.25
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69083626) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID69083626
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-11-20(23-21(28-3)9-6-10-22(23)29-4)26(24(15)27)13-17-7-5-8-18(12-17)19-14-30-16(2)25-19/h5-10,12,14-15,20H,11,13H2,1-4H3
InChIKeyLRUWAFBAMKJJRR-UHFFFAOYSA-N
XLogP5.25
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-methylbenzo[d]thiazol-5-yl)methyl)pyrrolidin-2-one
CID 76324989
7-(2,6-Dimethoxyphenyl)-1-(3-(2-methylthiazol-4-yl)benzyl)azepan-2-one
CID 69082689
7-[4-(2,6-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-hydroxyheptanamide
CID 44349684
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-phenylthiazol-4-yl)methyl)pyrrolidin-2-one
CID 69080909
6-(2,6-Dimethoxyphenyl)-1-((2-phenoxythiazol-4-yl)methyl)piperidin-2-one
CID 69081326
5-(2-Fluoro-6-methoxyphenyl)-3-methyl-1-((2-(p-tolyl)thiazol-4-yl)methyl)pyrrolidin-2-one
CID 69081676
5-(2,6-Dimethoxyphenyl)-3-methyl-1-((2-methylbenzo[d]thiazol-6-yl)methyl)pyrrolidin-2-one
CID 69082450
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-(thiazol-2-yl)benzyl)pyrrolidin-2-one
CID 69082685

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (CID 69083626) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is LRUWAFBAMKJJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-15-11-20(23-21(28-3)9-6-10-22(23)29-4)26(24(15)27)13-17-7-5-8-18(12-17)19-14-30-16(2)25-19/h5-10,12,14-15,20H,11,13H2,1-4H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 422.55 g/mol, XLogP of 5.25, 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)-3-methyl-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69083626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).