N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-methyl-1,3-oxazole-4-carboxamide

• ChemBase ID: 714668
• Molecular Formular: C10H13N5O2S
• Molecular Mass: 267.30752
• Monoisotopic Mass: 267.07899568
• SMILES: c1(sc(nn1)N)C(NC(=O)c1ncoc1C)(C)C
• Canonical SMILES: Nc1nnc(s1)C(NC(=O)c1ncoc1C)(C)C
• InChI: InChI=1S/C10H13N5O2S/c1-5-6(12-4-17-5)7(16)13-10(2,3)8-14-15-9(11)18-8/h4H,1-3H3,(H2,11,15)(H,13,16)
• InChIKey: CVCMVIQPBNXAPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-methyl-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-5-methyl-1,3-oxazole-4-carboxamide
• Synonyms: N-[1-(5-amino-1,3,4-thiadiazol-2-yl)-1-methylethyl]-5-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.763512
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.00440292
• LogD (pH = 7.4): 0.004403344
• Log P: 0.004405041
• Molar Refractivity: 68.1719 cm^3
• Polarizability: 24.278875 Å^3
• Polar Surface Area: 106.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.32
• LOG S: -2.19
• Polar Surface Area: 106.93 Å^2
• Rotatable Bonds: 3