N-[(1R,3S)-3-[(2-ethoxyethyl)carbamoyl]cyclopentyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 681955
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: c1(nc2n(c1)ccs2)C(=O)N[C@H]1C[C@@H](C(=O)NCCOCC)CC1
• Canonical SMILES: CCOCCNC(=O)[C@H]1CC[C@H](C1)NC(=O)c1nc2n(c1)ccs2
• InChI: InChI=1S/C16H22N4O3S/c1-2-23-7-5-17-14(21)11-3-4-12(9-11)18-15(22)13-10-20-6-8-24-16(20)19-13/h6,8,10-12H,2-5,7,9H2,1H3,(H,17,21)(H,18,22)/t11-,12+/m0/s1
• InChIKey: YZWINNMHELTMHD-NWDGAFQWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3S)-3-[(2-ethoxyethyl)carbamoyl]cyclopentyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[(1R,3S)-3-[(2-ethoxyethyl)carbamoyl]cyclopentyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-((1R*,3S*)-3-{[(2-ethoxyethyl)amino]carbonyl}cyclopentyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.29448
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5573973
• LogD (pH = 7.4): 0.55742925
• Log P: 0.55742973
• Molar Refractivity: 102.2796 cm^3
• Polarizability: 34.50377 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.44
• LOG S: -2.98
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 7