5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one

C23H23FN2O2S — CID 69081676

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23FN2O2S/c1-14-7-9-16(10-8-14)22-25-17(13-29-22)12-26-19(11-15(2)23(26)27)21-18(24)5-4-6-20(21)28-3/h4-10,13,15,19H,11-12H2,1-3H3
InChIKeyMOXOWSSMOJNDCO-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.38
Rot. Bonds5

About 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one

5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 69081676) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID69081676
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23FN2O2S/c1-14-7-9-16(10-8-14)22-25-17(13-29-22)12-26-19(11-15(2)23(26)27)21-18(24)5-4-6-20(21)28-3/h4-10,13,15,19H,11-12H2,1-3H3
InChIKeyMOXOWSSMOJNDCO-UHFFFAOYSA-N
XLogP5.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one (CID 69081676) is 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one is COc1cccc(F)c1C1CC(C)C(=O)N1Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is MOXOWSSMOJNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-14-7-9-16(10-8-14)22-25-17(13-29-22)12-26-19(11-15(2)23(26)27)21-18(24)5-4-6-20(21)28-3/h4-10,13,15,19H,11-12H2,1-3H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one?
5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 410.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69081676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).