methyl[(4-methyl-1,3-thiazol-2-yl)methyl][(1-propyl-1H-imidazol-2-yl)methyl]amine

• ChemBase ID: 838986
• Molecular Formular: C13H20N4S
• Molecular Mass: 264.3897
• Monoisotopic Mass: 264.14086766
• SMILES: c1(n(ccn1)CCC)CN(Cc1nc(cs1)C)C
• Canonical SMILES: CCCn1ccnc1CN(Cc1scc(n1)C)C
• InChI: InChI=1S/C13H20N4S/c1-4-6-17-7-5-14-12(17)8-16(3)9-13-15-11(2)10-18-13/h5,7,10H,4,6,8-9H2,1-3H3
• InChIKey: RMLHHGDVRUGYHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-1,3-thiazol-2-yl)methyl][(1-propyl-1H-imidazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methyl-1,3-thiazol-2-yl)methyl][(1-propylimidazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.95025885
• LogD (pH = 7.4): 1.5400345
• Log P: 1.560148
• Molar Refractivity: 74.7913 cm^3
• Polarizability: 28.761253 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.94
• LOG S: -2.63
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 6