Unii-ndd5FJ88YU

Base Information

• Chemical Name: Unii-ndd5FJ88YU
• CAS No.: 149917-31-7
• Molecular Formula: C₁₆H₂₁N₅O₂S
• Molecular Weight: 347.441
• UNII: NDD5FJ88YU
• Nikkaji Number: J1.191.602C
• ChEMBL ID: CHEMBL112352
• Mol file: 149917-31-7.mol

Synonyms:FR 145715;FR-145715;FR145715;N-(3-(2-(N'-(2-methoxyethyl)guanidino)thiazol-4-yl)benzyl)acetamide

Chemical Property of Unii-ndd5FJ88YU

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 347.14159610
• Heavy Atom Count: 24
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NCC1=CC(=CC=C1)C2=CSC(=N2)NC(=NCCOC)N

Technology Process of Unii-ndd5FJ88YU

There total 2 articles about Unii-ndd5FJ88YU which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3'-(acetylaminomethyl)acetophenone + [(2-Methoxyethylamino)(amino)methylene]thiourea (72802-10-9) + 3'-(acetylaminomethyl)bromoacetophenone (149917-44-2) → 4-(3-acetylaminomethylphenyl)-2-[[(amino)(2-methoxyethylamino)methylene]amino]thiazole (149917-31-7)

Guidance literature:

With bromine; sodium hydrogencarbonate; In 1,4-dioxane; methanol;

Reference yield:

aqueous potassium carbonate + 4-(3-acetylaminomethylphenyl)-2-(2-methyl-1-isothioureido)thiazole hydriodide (149889-66-7) + 2-methoxyethylamine (109-85-3) → 4-(3-acetylaminomethylphenyl)-2-[[(amino)(2-methoxyethylamino)methylene]amino]thiazole (149917-31-7)

Guidance literature:

In tetrahydrofuran; ethanol; water; ethyl acetate;

Reference yield:

4-(3-acetylaminomethylphenyl)-2-[[(amino)(2-methoxyethylamino)methylene]amino]thiazole (149917-31-7) → 4-(3-acetylaminomethylphenyl)-2-[[(amino)(2-methoxyethylamino)methylene]amino]thiazole methanesulfonate

Guidance literature:

With methanesulfonic acid; In methanol;

upstream raw materials:

4-(3-acetylaminomethylphenyl)-2-(2-methyl-1-isothioureido)thiazole hydriodide

2-methoxyethylamine

[(2-Methoxyethylamino)(amino)methylene]thiourea

3'-(acetylaminomethyl)bromoacetophenone