2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide

C26H26N4O6S2 — CID 135869459

About 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide

2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 135869459) has the molecular formula C26H26N4O6S2 and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 135869459
• Molecular Formula: C26H26N4O6S2
• Molecular Weight: 554.65 g/mol
• Exact Mass: 554.13
• IUPAC Name: 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(NCCOCCOCCNC(=O)c1csc(-c2ccccc2O)n1)c1csc(-c2ccccc2O)n1
• InChI: InChI=1S/C26H26N4O6S2/c31-21-7-3-1-5-17(21)25-29-19(15-37-25)23(33)27-9-11-35-13-14-36-12-10-28-24(34)20-16-38-26(30-20)18-6-2-4-8-22(18)32/h1-8,15-16,31-32H,9-14H2,(H,27,33)(H,28,34)
• InChIKey: YOCGUFTZOWOXBY-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 142.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.65
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	4
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-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide (CID 135869459) is 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCOCCOCCNC(=O)c1csc(-c2ccccc2O)n1)c1csc(-c2ccccc2O)n1.

What is the InChIKey of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is YOCGUFTZOWOXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6S2/c31-21-7-3-1-5-17(21)25-29-19(15-37-25)23(33)27-9-11-35-13-14-36-12-10-28-24(34)20-16-38-26(30-20)18-6-2-4-8-22(18)32/h1-8,15-16,31-32H,9-14H2,(H,27,33)(H,28,34).

What are the key properties of 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide?

2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 3.54, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyphenyl)-N-[2-[2-[2-[[2-(2-hydroxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethoxy]ethoxy]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135869459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).