2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

C22H33NO9S — CID 136623557

About 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid (PubChem CID 136623557) has the molecular formula C22H33NO9S and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
• PubChem CID: 136623557
• Molecular Formula: C22H33NO9S
• Molecular Weight: 487.57 g/mol
• Exact Mass: 487.19
• IUPAC Name: 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
• SMILES: COCCOCCOCCOCCOCCOc1ccc(C2=NC(C)(C(=O)O)CS2)c(O)c1
• InChI: InChI=1S/C22H33NO9S/c1-22(21(25)26)16-33-20(23-22)18-4-3-17(15-19(18)24)32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-2/h3-4,15,24H,5-14,16H2,1-2H3,(H,25,26)
• InChIKey: NWCLCMJRHYSLFP-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 125.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.57
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid (CID 136623557) is 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid is COCCOCCOCCOCCOCCOc1ccc(C2=NC(C)(C(=O)O)CS2)c(O)c1.

What is the InChIKey of 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid?

The InChIKey is NWCLCMJRHYSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO9S/c1-22(21(25)26)16-33-20(23-22)18-4-3-17(15-19(18)24)32-14-13-31-12-11-30-10-9-29-8-7-28-6-5-27-2/h3-4,15,24H,5-14,16H2,1-2H3,(H,25,26).

What are the key properties of 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid?

2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid has a molecular weight of 487.57 g/mol, XLogP of 1.82, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 136623557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).