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

• ChemBase ID: 273691
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: c1(nc(cs1)CN)C1CC1
• Canonical SMILES: NCc1csc(n1)C1CC1
• InChI: InChI=1S/C7H10N2S/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-3,8H2
• InChIKey: FPTUAEIUVOUZOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12913277
• PubChem SID: 164329601
• PubChem CID: 45792629

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8414646
• LogD (pH = 7.4): -0.18250504
• Log P: 0.7421399
• Molar Refractivity: 41.0575 cm^3
• Polarizability: 16.186935 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.381

Product Information

• Purity: 95%