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

• ChemBase ID: 804118
• Molecular Formular: C5H7BrN2S
• Molecular Mass: 207.09148
• Monoisotopic Mass: 205.95133123
• SMILES: s1c(nc(c1)Br)N(C)C
• Canonical SMILES: CN(c1scc(n1)Br)C
• InChI: InChI=1S/C5H7BrN2S/c1-8(2)5-7-4(6)3-9-5/h3H,1-2H3
• InChIKey: JQIGVPZFJHWNID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 209260-76-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.398589
• LogD (pH = 7.4): 2.3986068
• Log P: 2.398607
• Molar Refractivity: 43.6333 cm^3
• Polarizability: 15.976593 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%