Imidazo[2,1-b]thiazole-2-carboxamide, 5,6-dihydro-3,6,6-trimethyl-N-(2-phenylethyl)-

Base Information

• Chemical Name: Imidazo[2,1-b]thiazole-2-carboxamide, 5,6-dihydro-3,6,6-trimethyl-N-(2-phenylethyl)-
• CAS No.: 105963-46-0
• Molecular Formula: C17H21 N3 O S
• Molecular Weight: 315.4331
• DSSTox Substance ID: DTXSID40909841
• Nikkaji Number: J548.177E

Synonyms:N-(2-phenylethyl)-3,6,6-trimethyl-5,6-dihydroimidazo(2,1-b)thiazole-2-carboxamide;TOK 8801;TOK-8801

Chemical Property of Imidazo[2,1-b]thiazole-2-carboxamide, 5,6-dihydro-3,6,6-trimethyl-N-(2-phenylethyl)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 13.27±0.40(Predicted)
• Flash Point: °C
• PSA: 78.12000
• Density: 1.23g/cm³
• LogP: 2.53380
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 315.14053348
• Heavy Atom Count: 22
• Complexity: 518

Purity/Quality:

99%, ^*data from raw suppliers

TOK-8801 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=NC(CN12)(C)C)C(=O)NCCC3=CC=CC=C3
• Uses: TOK-8801, is a synthesized dihydroimidazothiazole carboxamide, and has been under studies to be used as an immunomodulator.

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