4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one

C27H28N2O4S — CID 108615026

About 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one

4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one (PubChem CID 108615026) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
• PubChem CID: 108615026
• Molecular Formula: C27H28N2O4S
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.18
• IUPAC Name: 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one
• SMILES: CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1ccccc1OC
• InChI: InChI=1S/C27H28N2O4S/c1-4-5-11-16-29-22(19-14-9-10-15-20(19)33-3)21(24(31)27(29)32)23(30)25-17(2)28-26(34-25)18-12-7-6-8-13-18/h6-10,12-15,22,31H,4-5,11,16H2,1-3H3
• InChIKey: KQEBRHOKBCYWQI-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one (CID 108615026) is 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one is CCCCCN1C(=O)C(O)=C(C(=O)c2sc(-c3ccccc3)nc2C)C1c1ccccc1OC.

What is the InChIKey of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one?

The InChIKey is KQEBRHOKBCYWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-4-5-11-16-29-22(19-14-9-10-15-20(19)33-3)21(24(31)27(29)32)23(30)25-17(2)28-26(34-25)18-12-7-6-8-13-18/h6-10,12-15,22,31H,4-5,11,16H2,1-3H3.

What are the key properties of 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one?

4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one has a molecular weight of 476.60 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-(2-methoxyphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-pentyl-2H-pyrrol-5-one is sourced from PubChem (CID 108615026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).