N-[5-(tributylstannyl)-1,3-thiazol-2-yl]acetamide

• ChemBase ID: 77653
• Molecular Formular: C17H32N2OSSn
• Molecular Mass: 431.21478
• Monoisotopic Mass: 432.12572865
• SMILES: n1c(NC(=O)C)sc(c1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cnc(s1)NC(=O)C)(CCCC)CCCC
• InChI: InChI=1S/C5H5N2OS.3C4H9.Sn/c1-4(8)7-5-6-2-3-9-5;3*1-3-4-2;/h2H,1H3,(H,6,7,8);3*1,3-4H2,2H3
• InChIKey: BYHZPVZFUMGIIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-(tributylstannyl)-1,3-thiazol-2-yl]acetamide
• IUPAC Traditional name: N-[5-(tributylstannyl)-1,3-thiazol-2-yl]acetamide
• Synonyms: 2-Acetamido-5-(tributylstannyl)-1,3-thiazole

Database IDs

• MDL Number: MFCD09025763
• PubChem SID: 162042525
• PubChem CID: 16427128

CALCULATED PROPERTIES

• Acid pKa: 10.844386
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6406953
• LogD (pH = 7.4): 3.6405478
• Log P: 3.6407
• Molar Refractivity: 92.5946 cm^3
• Polarizability: 40.52231 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Keep Cold