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

C24H26N2O3S — CID 69085705

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-11-19(22-20(28-3)9-6-10-21(22)29-4)26(24(15)27)14-17-7-5-8-18(12-17)23-25-13-16(2)30-23/h5-10,12-13,15,19H,11,14H2,1-4H3
InChIKeyFMAOIOLKTPUQSK-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.25
Rot. Bonds6

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

5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69085705) 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-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
PubChem CID69085705
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1
InChIInChI=1S/C24H26N2O3S/c1-15-11-19(22-20(28-3)9-6-10-21(22)29-4)26(24(15)27)14-17-7-5-8-18(12-17)23-25-13-16(2)30-23/h5-10,12-13,15,19H,11,14H2,1-4H3
InChIKeyFMAOIOLKTPUQSK-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one (CID 69085705) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ncc(C)s2)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is FMAOIOLKTPUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-15-11-19(22-20(28-3)9-6-10-21(22)29-4)26(24(15)27)14-17-7-5-8-18(12-17)23-25-13-16(2)30-23/h5-10,12-13,15,19H,11,14H2,1-4H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[[3-(5-methyl-1,3-thiazol-2-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-(5-methyl-1,3-thiazol-2-yl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69085705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).