2-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazol-2-yl)-4-(propan-2-yl)-1,3-thiazole

• ChemBase ID: 352909
• Molecular Formular: C17H17N5S
• Molecular Mass: 323.41538
• Monoisotopic Mass: 323.12046657
• SMILES: c1(nc(cs1)C(C)C)c1n(Cc2nc3n(c2)cccc3)ccn1
• Canonical SMILES: CC(c1csc(n1)c1nccn1Cc1nc2n(c1)cccc2)C
• InChI: InChI=1S/C17H17N5S/c1-12(2)14-11-23-17(20-14)16-18-6-8-22(16)10-13-9-21-7-4-3-5-15(21)19-13/h3-9,11-12H,10H2,1-2H3
• InChIKey: LHZSXOHKRFWIQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}-1H-imidazol-2-yl)-4-(propan-2-yl)-1,3-thiazole
• IUPAC Traditional name: 2-(1-{imidazo[1,2-a]pyridin-2-ylmethyl}imidazol-2-yl)-4-isopropyl-1,3-thiazole
• Synonyms: 2-{[2-(4-isopropyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]methyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.498609
• LogD (pH = 7.4): 3.0902297
• Log P: 3.1067007
• Molar Refractivity: 111.9466 cm^3
• Polarizability: 34.28695 Å^3
• Polar Surface Area: 48.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.65
• LOG S: -4.68
• Polar Surface Area: 48.01 Å^2
• Rotatable Bonds: 4