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

• ChemBase ID: 280228
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: c1(nccs1)C(C1CC1)N
• Canonical SMILES: NC(c1nccs1)C1CC1
• InChI: InChI=1S/C7H10N2S/c8-6(5-1-2-5)7-9-3-4-10-7/h3-6H,1-2,8H2
• InChIKey: VPWQNPNTMBITDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14628902
• PubChem SID: 180665759
• PubChem CID: 46785163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7231805
• LogD (pH = 7.4): -0.052443378
• Log P: 0.8235071
• Molar Refractivity: 40.7541 cm^3
• Polarizability: 16.26928 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.191

Product Information

• Purity: 95%