4-(azidomethyl)-2-methyl-1,3-thiazole

• ChemBase ID: 243327
• Molecular Formular: C5H6N4S
• Molecular Mass: 154.19294
• Monoisotopic Mass: 154.03131721
• SMILES: [N+](=[N-])=NCc1nc(sc1)C
• Canonical SMILES: [N-]=[N+]=NCc1csc(n1)C
• InChI: InChI=1S/C5H6N4S/c1-4-8-5(3-10-4)2-7-9-6/h3H,2H2,1H3
• InChIKey: DZFOJPRDWBZEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(azidomethyl)-2-methyl-1,3-thiazole
• IUPAC Traditional name: 4-(azidomethyl)-2-methyl-1,3-thiazole
• Synonyms: 4-(azidomethyl)-2-methyl-1,3-thiazole

Database IDs

• MDL Number: MFCD14652294
• PubChem SID: 164299237
• PubChem CID: 61375526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.77460307
• LogD (pH = 7.4): 0.77551264
• Log P: 0.8895699
• Molar Refractivity: 38.2933 cm^3
• Polarizability: 14.053194 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.107

Product Information

• Purity: 95%