N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

• ChemBase ID: 333740
• Molecular Formular: C10H13ClN4O2S2
• Molecular Mass: 320.81882
• Monoisotopic Mass: 320.01684536
• SMILES: c1(S(=O)(=O)N[C@H]2C[C@H](N)CC2)n2c(nc1Cl)scc2
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NS(=O)(=O)c1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C10H13ClN4O2S2/c11-8-9(15-3-4-18-10(15)13-8)19(16,17)14-7-2-1-6(12)5-7/h3-4,6-7,14H,1-2,5,12H2/t6-,7-/m1/s1
• InChIKey: SKDYQBBELJRZAR-RNFRBKRXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.6029625
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6508386
• LogD (pH = 7.4): -1.6436812
• Log P: -0.59838206
• Molar Refractivity: 85.383 cm^3
• Polarizability: 29.420815 Å^3
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.62
• LOG S: -1.92
• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 2