N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

• ChemBase ID: 494501
• Molecular Formular: C14H20N4S
• Molecular Mass: 276.4004
• Monoisotopic Mass: 276.14086766
• SMILES: c1(n(ccn1)CCC)CN(C1CC1)Cc1nccs1
• Canonical SMILES: CCCn1ccnc1CN(C1CC1)Cc1nccs1
• InChI: InChI=1S/C14H20N4S/c1-2-7-17-8-5-15-13(17)10-18(12-3-4-12)11-14-16-6-9-19-14/h5-6,8-9,12H,2-4,7,10-11H2,1H3
• InChIKey: JITSOKHLFJXHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-[(1-propylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• Synonyms: N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3114738
• LogD (pH = 7.4): 1.8754908
• Log P: 1.8943423
• Molar Refractivity: 77.411 cm^3
• Polarizability: 29.958866 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.84
• LOG S: -2.63
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 7