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

C27H24N2OS — CID 69080124

IUPAC1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one
SMILESCc1nc(-c2cccc(CN3C(=O)CCC3c3ccccc3-c3ccccc3)c2)cs1
InChIInChI=1S/C27H24N2OS/c1-19-28-25(18-31-19)22-11-7-8-20(16-22)17-29-26(14-15-27(29)30)24-13-6-5-12-23(24)21-9-3-2-4-10-21/h2-13,16,18,26H,14-15,17H2,1H3
InChIKeyAEGWGVROKVYKOO-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.65
Rot. Bonds5

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

1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one (PubChem CID 69080124) has the molecular formula C27H24N2OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one
PubChem CID69080124
Molecular FormulaC27H24N2OS
Molecular Weight424.57 g/mol
Exact Mass424.16
IUPAC Name1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one
SMILESCc1nc(-c2cccc(CN3C(=O)CCC3c3ccccc3-c3ccccc3)c2)cs1
InChIInChI=1S/C27H24N2OS/c1-19-28-25(18-31-19)22-11-7-8-20(16-22)17-29-26(14-15-27(29)30)24-13-6-5-12-23(24)21-9-3-2-4-10-21/h2-13,16,18,26H,14-15,17H2,1H3
InChIKeyAEGWGVROKVYKOO-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)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 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one (CID 69080124) is 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one is Cc1nc(-c2cccc(CN3C(=O)CCC3c3ccccc3-c3ccccc3)c2)cs1.
What is the InChIKey of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one?
The InChIKey is AEGWGVROKVYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2OS/c1-19-28-25(18-31-19)22-11-7-8-20(16-22)17-29-26(14-15-27(29)30)24-13-6-5-12-23(24)21-9-3-2-4-10-21/h2-13,16,18,26H,14-15,17H2,1H3.
What are the key properties of 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one?
1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one has a molecular weight of 424.57 g/mol, XLogP of 6.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 69080124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).