cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 279481
• Molecular Formular: C8H12N2S
• Molecular Mass: 168.25928
• Monoisotopic Mass: 168.07211939
• SMILES: c1(nc(cs1)C)C(C1CC1)N
• Canonical SMILES: NC(c1scc(n1)C)C1CC1
• InChI: InChI=1S/C8H12N2S/c1-5-4-11-8(10-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3
• InChIKey: PGQDIESBAMNFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
• IUPAC Traditional name: cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine
• Synonyms: cyclopropyl(4-methyl-1,3-thiazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD14632001
• PubChem SID: 164335391
• PubChem CID: 46785177

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6957868
• LogD (pH = 7.4): -0.066501446
• Log P: 0.9548772
• Molar Refractivity: 45.3456 cm^3
• Polarizability: 18.024303 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%