2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

C22H19N3O4S — CID 139235926

About 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one

2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 139235926) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
• PubChem CID: 139235926
• Molecular Formula: C22H19N3O4S
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.11
• IUPAC Name: 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/N=N/c2ccc(O)c(C3SCC(=O)N3c3ccc(O)cc3)c2)cc1
• InChI: InChI=1S/C22H19N3O4S/c1-29-18-9-2-14(3-10-18)23-24-15-4-11-20(27)19(12-15)22-25(21(28)13-30-22)16-5-7-17(26)8-6-16/h2-12,22,26-27H,13H2,1H3/b24-23+
• InChIKey: MQYRHXAELMUMQA-WCWDXBQESA-N
• XLogP: 5.30
• TPSA: 94.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?

The IUPAC name of 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 139235926) is 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(/N=N/c2ccc(O)c(C3SCC(=O)N3c3ccc(O)cc3)c2)cc1.

What is the InChIKey of 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?

The InChIKey is MQYRHXAELMUMQA-WCWDXBQESA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-29-18-9-2-14(3-10-18)23-24-15-4-11-20(27)19(12-15)22-25(21(28)13-30-22)16-5-7-17(26)8-6-16/h2-12,22,26-27H,13H2,1H3/b24-23+.

What are the key properties of 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one?

2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 421.48 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-5-[(4-methoxyphenyl)diazenyl]phenyl]-3-(4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 139235926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).