N-[(1R,3R)-3-aminocyclopentyl]-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 835875
• Molecular Formular: C13H15N3OS2
• Molecular Mass: 293.4077
• Monoisotopic Mass: 293.06565412
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N[C@H]1C[C@H](N)CC1
• Canonical SMILES: N[C@@H]1CC[C@H](C1)NC(=O)c1csc(n1)c1cccs1
• InChI: InChI=1S/C13H15N3OS2/c14-8-3-4-9(6-8)15-12(17)10-7-19-13(16-10)11-2-1-5-18-11/h1-2,5,7-9H,3-4,6,14H2,(H,15,17)/t8-,9-/m1/s1
• InChIKey: ONHMAKXXFZOLHD-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,3R)-3-aminocyclopentyl]-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[(1R,3R)-3-aminocyclopentyl]-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-[(1R*,3R*)-3-aminocyclopentyl]-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.820883
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3363466
• LogD (pH = 7.4): -0.787206
• Log P: 1.6824311
• Molar Refractivity: 86.5576 cm^3
• Polarizability: 29.932863 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.29
• LOG S: -2.44
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3