N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 846578
• Molecular Formular: C14H25N5O2S
• Molecular Mass: 327.4456
• Monoisotopic Mass: 327.17289607
• SMILES: c1(sc(nn1)N)C(NC(=O)CC1CN(C(C)C)CCO1)(C)C
• Canonical SMILES: CC(N1CCOC(C1)CC(=O)NC(c1nnc(s1)N)(C)C)C
• InChI: InChI=1S/C14H25N5O2S/c1-9(2)19-5-6-21-10(8-19)7-11(20)16-14(3,4)12-17-18-13(15)22-12/h9-10H,5-8H2,1-4H3,(H2,15,18)(H,16,20)
• InChIKey: IWSOSDQNPAWMIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-1-methylethyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.572022
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.7071126
• LogD (pH = 7.4): -0.037633836
• Log P: 0.3660884
• Molar Refractivity: 88.0548 cm^3
• Polarizability: 33.238964 Å^3
• Polar Surface Area: 93.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.06
• LOG S: -2.85
• Polar Surface Area: 93.37 Å^2
• Rotatable Bonds: 5