N-(1,3-thiazol-5-ylmethyl)cyclopropanamine

• ChemBase ID: 307555
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: n1csc(c1)CNC1CC1
• Canonical SMILES: N(C1CC1)Cc1scnc1
• InChI: InChI=1S/C7H10N2S/c1-2-6(1)9-4-7-3-8-5-10-7/h3,5-6,9H,1-2,4H2
• InChIKey: UFKTVLAFAKBFST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
• Synonyms: N-(1,3-thiazol-5-ylmethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD08060690

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.86627
• LogD (pH = 7.4): -0.14702049
• Log P: 0.7883914
• Molar Refractivity: 41.5097 cm^3
• Polarizability: 16.268442 Å^3
• Polar Surface Area: 24.92 Å^2