1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C28H25N3O2S — CID 108747938

IUPAC1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(-c4nc(-c5ccccc5)sc4C)cc3)CC2=O)cc1
InChIInChI=1S/C28H25N3O2S/c1-18-8-14-24(15-9-18)31-17-22(16-25(31)32)27(33)29-23-12-10-20(11-13-23)26-19(2)34-28(30-26)21-6-4-3-5-7-21/h3-15,22H,16-17H2,1-2H3,(H,29,33)
InChIKeyLMNOBNYUQLEFDS-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.09
Rot. Bonds5

About 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108747938) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108747938
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC Name1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(-c4nc(-c5ccccc5)sc4C)cc3)CC2=O)cc1
InChIInChI=1S/C28H25N3O2S/c1-18-8-14-24(15-9-18)31-17-22(16-25(31)32)27(33)29-23-12-10-20(11-13-23)26-19(2)34-28(30-26)21-6-4-3-5-7-21/h3-15,22H,16-17H2,1-2H3,(H,29,33)
InChIKeyLMNOBNYUQLEFDS-UHFFFAOYSA-N
XLogP6.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108810579
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
1-(4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 2963146
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 880261
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 108747938) is 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(-c4nc(-c5ccccc5)sc4C)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LMNOBNYUQLEFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c1-18-8-14-24(15-9-18)31-17-22(16-25(31)32)27(33)29-23-12-10-20(11-13-23)26-19(2)34-28(30-26)21-6-4-3-5-7-21/h3-15,22H,16-17H2,1-2H3,(H,29,33).
What are the key properties of 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).