4-(azidomethyl)-1,3-thiazole

• ChemBase ID: 243694
• Molecular Formular: C4H4N4S
• Molecular Mass: 140.16636
• Monoisotopic Mass: 140.01566715
• SMILES: [N+](=[N-])=NCc1ncsc1
• Canonical SMILES: [N-]=[N+]=NCc1cscn1
• InChI: InChI=1S/C4H4N4S/c5-8-7-1-4-2-9-3-6-4/h2-3H,1H2
• InChIKey: KPIFOLWKUTUNLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14652305
• PubChem SID: 164299604
• PubChem CID: 54344684

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.65232474
• LogD (pH = 7.4): 0.65245783
• Log P: 0.7665051
• Molar Refractivity: 33.8526 cm^3
• Polarizability: 12.313982 Å^3
• Polar Surface Area: 42.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.608

Product Information

• Purity: 95%