4-bromo-N,N-diethyl-1,3-thiazol-2-amine

• ChemBase ID: 804119
• Molecular Formular: C7H11BrN2S
• Molecular Mass: 235.14464
• Monoisotopic Mass: 233.98263136
• SMILES: s1c(nc(c1)Br)N(CC)CC
• Canonical SMILES: CCN(c1scc(n1)Br)CC
• InChI: InChI=1S/C7H11BrN2S/c1-3-10(4-2)7-9-6(8)5-11-7/h5H,3-4H2,1-2H3
• InChIKey: RQJGQYSPPGBZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N,N-diethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-bromo-N,N-diethyl-1,3-thiazol-2-amine
• Synonyms: 2-DIETHYLAMINO-4-BROMOTHIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1122062
• LogD (pH = 7.4): 3.112223
• Log P: 3.112223
• Molar Refractivity: 53.1305 cm^3
• Polarizability: 19.571438 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%