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

• ChemBase ID: 309330
• Molecular Formular: C5H7BrN2S
• Molecular Mass: 207.09148
• Monoisotopic Mass: 205.95133123
• SMILES: s1c(nc(c1Br)C)NC
• Canonical SMILES: CNc1nc(c(s1)Br)C
• InChI: InChI=1S/C5H7BrN2S/c1-3-4(6)9-5(7-2)8-3/h1-2H3,(H,7,8)
• InChIKey: IDYYDCHMCLJPMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,4-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-bromo-N,4-dimethyl-1,3-thiazol-2-amine
• Synonyms: 5-bromo-N,4-dimethyl-1,3-thiazol-2-amine

Database IDs

• CAS Number: 878890-10-9
• MDL Number: MFCD17078870

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8544079
• LogD (pH = 7.4): 1.8551757
• Log P: 1.8551855
• Molar Refractivity: 42.3077 cm^3
• Polarizability: 15.887802 Å^3
• Polar Surface Area: 24.92 Å^2