4-cyclopropyl-1,3-thiazol-5-amine

• ChemBase ID: 243830
• Molecular Formular: C6H8N2S
• Molecular Mass: 140.20612
• Monoisotopic Mass: 140.04081927
• SMILES: c1(c(scn1)N)C1CC1
• Canonical SMILES: Nc1scnc1C1CC1
• InChI: InChI=1S/C6H8N2S/c7-6-5(4-1-2-4)8-3-9-6/h3-4H,1-2,7H2
• InChIKey: QEGILJCLUJVGSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-1,3-thiazol-5-amine
• IUPAC Traditional name: 4-cyclopropyl-1,3-thiazol-5-amine
• Synonyms: 4-cyclopropyl-1,3-thiazol-5-amine

Database IDs

• MDL Number: MFCD16669895
• PubChem SID: 164299740
• PubChem CID: 62082372

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8757255
• LogD (pH = 7.4): 0.8802172
• Log P: 0.880275
• Molar Refractivity: 37.1174 cm^3
• Polarizability: 13.972773 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.872

Product Information

• Purity: 95%