5-bromo-N-methyl-1,3-thiazol-2-amine

• ChemBase ID: 309279
• Molecular Formular: C4H5BrN2S
• Molecular Mass: 193.0649
• Monoisotopic Mass: 191.93568117
• SMILES: s1c(ncc1Br)NC
• Canonical SMILES: CNc1ncc(s1)Br
• InChI: InChI=1S/C4H5BrN2S/c1-6-4-7-2-3(5)8-4/h2H,1H3,(H,6,7)
• InChIKey: UMAGIJRKXXQSNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 37653-33-1
• MDL Number: MFCD14702791

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7228804
• LogD (pH = 7.4): 1.7238035
• Log P: 1.7238153
• Molar Refractivity: 37.7162 cm^3
• Polarizability: 14.176089 Å^3
• Polar Surface Area: 24.92 Å^2