cyclopropyl(5-methyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 279537
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: c1(ncc(s1)C)C(C1CC1)N
• Canonical SMILES: NC(c1ncc(s1)C)C1CC1
• InChI: InChI=1S/C8H12N2S/c1-5-4-10-8(11-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3
• InChIKey: FLZXXKPDILZZGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(5-methyl-1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: cyclopropyl(5-methyl-1,3-thiazol-2-yl)methanamine
• Synonyms: cyclopropyl(5-methyl-1,3-thiazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD16665253
• PubChem SID: 164335447
• PubChem CID: 46785178

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1615535
• LogD (pH = 7.4): 0.47766283
• Log P: 1.4693679
• Molar Refractivity: 45.8104 cm^3
• Polarizability: 18.027853 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.69

Product Information

• Purity: 95%