N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 541209
• Molecular Formular: C10H15N3OS
• Molecular Mass: 225.3106
• Monoisotopic Mass: 225.09358312
• SMILES: n1c(CC(=O)N[C@@H]2[C@@H](CC2)N)csc1C
• Canonical SMILES: Cc1nc(cs1)CC(=O)N[C@H]1CC[C@H]1N
• InChI: InChI=1S/C10H15N3OS/c1-6-12-7(5-15-6)4-10(14)13-9-3-2-8(9)11/h5,8-9H,2-4,11H2,1H3,(H,13,14)/t8-,9+/m1/s1
• InChIKey: WKIRJVCBCZDPKQ-BDAKNGLRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[(1S,2R)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-[(1S*,2R*)-2-aminocyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.034171
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.032628
• LogD (pH = 7.4): -1.8939614
• Log P: -0.07621681
• Molar Refractivity: 58.1928 cm^3
• Polarizability: 22.94827 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: -1.16
• LOG S: -1.16
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3