N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-(1,3-thiazol-4-yl)acetamide

• ChemBase ID: 737672
• Molecular Formular: C14H18N4OS
• Molecular Mass: 290.38392
• Monoisotopic Mass: 290.12013222
• SMILES: n1(c(ncc1)C)CC1(CC1)CNC(=O)Cc1ncsc1
• Canonical SMILES: O=C(Cc1cscn1)NCC1(CC1)Cn1ccnc1C
• InChI: InChI=1S/C14H18N4OS/c1-11-15-4-5-18(11)9-14(2-3-14)8-16-13(19)6-12-7-20-10-17-12/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,19)
• InChIKey: GKWGKTXRHFFPLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-(1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)-2-(1,3-thiazol-4-yl)acetamide
• Synonyms: N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-2-(1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.02105
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34228158
• LogD (pH = 7.4): 0.4269106
• Log P: 0.6702713
• Molar Refractivity: 77.1246 cm^3
• Polarizability: 29.677877 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.92
• LOG S: -1.84
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6