(2R)-2-amino-N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]pentanamide

• ChemBase ID: 462792
• Molecular Formular: C11H20N4OS
• Molecular Mass: 256.3677
• Monoisotopic Mass: 256.13578228
• SMILES: c1(c(nns1)C)CN(C(=O)[C@@H](CC(C)C)N)C
• Canonical SMILES: CC(C[C@H](C(=O)N(Cc1snnc1C)C)N)C
• InChI: InChI=1S/C11H20N4OS/c1-7(2)5-9(12)11(16)15(4)6-10-8(3)13-14-17-10/h7,9H,5-6,12H2,1-4H3/t9-/m1/s1
• InChIKey: XGGWQOSWZPGXOC-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]pentanamide
• IUPAC Traditional name: (2R)-2-amino-N,4-dimethyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]pentanamide
• Synonyms: N~1~-methyl-N~1~-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-D-leucinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7824675
• LogD (pH = 7.4): -0.16728005
• Log P: 0.8928287
• Molar Refractivity: 69.0727 cm^3
• Polarizability: 26.513367 Å^3
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.12
• LOG S: -2.03
• Polar Surface Area: 72.11 Å^2
• Rotatable Bonds: 5