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

C23H24N2O3S — CID 69082755

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2cscn2)c1
InChIInChI=1S/C23H24N2O3S/c1-15-10-19(22-20(27-2)8-5-9-21(22)28-3)25(23(15)26)12-16-6-4-7-17(11-16)18-13-29-14-24-18/h4-9,11,13-15,19H,10,12H2,1-3H3
InChIKeyREGDETKFRWUISP-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.94
Rot. Bonds6

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

5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69082755) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID69082755
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2cscn2)c1
InChIInChI=1S/C23H24N2O3S/c1-15-10-19(22-20(27-2)8-5-9-21(22)28-3)25(23(15)26)12-16-6-4-7-17(11-16)18-13-29-14-24-18/h4-9,11,13-15,19H,10,12H2,1-3H3
InChIKeyREGDETKFRWUISP-UHFFFAOYSA-N
XLogP4.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one (CID 69082755) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2cscn2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is REGDETKFRWUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-15-10-19(22-20(27-2)8-5-9-21(22)28-3)25(23(15)26)12-16-6-4-7-17(11-16)18-13-29-14-24-18/h4-9,11,13-15,19H,10,12H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 408.52 g/mol, XLogP of 4.94, 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-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69082755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).