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

C23H24N2O4S — CID 69082624

IUPAC5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(Oc2nc(C)cs2)cc1
InChIInChI=1S/C23H24N2O4S/c1-15-14-30-23(24-15)29-17-9-7-16(8-10-17)13-25-18(11-12-21(25)26)22-19(27-2)5-4-6-20(22)28-3/h4-10,14,18H,11-13H2,1-3H3
InChIKeyRUQICYBKEJVNCY-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.12
Rot. Bonds7

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

5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one (PubChem CID 69082624) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one
PubChem CID69082624
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(Oc2nc(C)cs2)cc1
InChIInChI=1S/C23H24N2O4S/c1-15-14-30-23(24-15)29-17-9-7-16(8-10-17)13-25-18(11-12-21(25)26)22-19(27-2)5-4-6-20(22)28-3/h4-10,14,18H,11-13H2,1-3H3
InChIKeyRUQICYBKEJVNCY-UHFFFAOYSA-N
XLogP5.12
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one (CID 69082624) is 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(Oc2nc(C)cs2)cc1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is RUQICYBKEJVNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-15-14-30-23(24-15)29-17-9-7-16(8-10-17)13-25-18(11-12-21(25)26)22-19(27-2)5-4-6-20(22)28-3/h4-10,14,18H,11-13H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 424.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[[4-[(4-methyl-1,3-thiazol-2-yl)oxy]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69082624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).