N-[4-(2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}acetamido)phenyl]pentanamide

• ChemBase ID: 734083
• Molecular Formular: C18H22N4O2S
• Molecular Mass: 358.45788
• Monoisotopic Mass: 358.14634696
• SMILES: c12=NCCn1c(CC(=O)Nc1ccc(NC(=O)CCCC)cc1)cs2
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1)NC(=O)Cc1csc2=NCCn12
• InChI: InChI=1S/C18H22N4O2S/c1-2-3-4-16(23)20-13-5-7-14(8-6-13)21-17(24)11-15-12-25-18-19-9-10-22(15)18/h5-8,12H,2-4,9-11H2,1H3,(H,20,23)(H,21,24)
• InChIKey: TUCLCENFFVEESD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}acetamido)phenyl]pentanamide
• IUPAC Traditional name: N-[4-(2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}acetamido)phenyl]pentanamide
• Synonyms: N-(4-{[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino}phenyl)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.873834
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5795393
• LogD (pH = 7.4): 2.194071
• Log P: 2.211911
• Molar Refractivity: 104.0347 cm^3
• Polarizability: 38.08008 Å^3
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.21
• LOG S: -3.71
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 7