N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

• ChemBase ID: 307554
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: n1c(scc1)CNC1CC1
• Canonical SMILES: c1csc(n1)CNC1CC1
• InChI: InChI=1S/C7H10N2S/c1-2-6(1)9-5-7-8-3-4-10-7/h3-4,6,9H,1-2,5H2
• InChIKey: ACDDRSZQTWAHFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• Synonyms: N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

Database IDs

• CAS Number: 915920-14-8
• MDL Number: MFCD08060687

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.302904
• LogD (pH = 7.4): 0.34369752
• Log P: 0.7291184
• Molar Refractivity: 41.0526 cm^3
• Polarizability: 16.269238 Å^3
• Polar Surface Area: 24.92 Å^2