1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

C32H31N3O3S — CID 108679692

About 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one

1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (PubChem CID 108679692) has the molecular formula C32H31N3O3S and a molecular weight of 537.69 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
• PubChem CID: 108679692
• Molecular Formula: C32H31N3O3S
• Molecular Weight: 537.69 g/mol
• Exact Mass: 537.21
• IUPAC Name: 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
• SMILES: Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccc(C(C)C)cc1
• InChI: InChI=1S/C32H31N3O3S/c1-19(2)21-11-13-22(14-12-21)27-26(28(36)30-20(3)33-31(39-30)23-9-7-6-8-10-23)29(37)32(38)35(27)25-17-15-24(16-18-25)34(4)5/h6-19,27,37H,1-5H3
• InChIKey: BCJOVSOVACFNEH-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 73.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.69
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one (CID 108679692) is 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is Cc1nc(-c2ccccc2)sc1C(=O)C1=C(O)C(=O)N(c2ccc(N(C)C)cc2)C1c1ccc(C(C)C)cc1.

What is the InChIKey of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?

The InChIKey is BCJOVSOVACFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3S/c1-19(2)21-11-13-22(14-12-21)27-26(28(36)30-20(3)33-31(39-30)23-9-7-6-8-10-23)29(37)32(38)35(27)25-17-15-24(16-18-25)34(4)5/h6-19,27,37H,1-5H3.

What are the key properties of 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one?

1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 537.69 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(dimethylamino)phenyl]-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108679692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).