2-[(dimethylcarbamoyl)amino]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

• ChemBase ID: 637098
• Molecular Formular: C12H20N4O2S
• Molecular Mass: 284.3778
• Monoisotopic Mass: 284.1306969
• SMILES: C(=O)(NCC(=O)NCCCc1c(ncs1)C)N(C)C
• Canonical SMILES: O=C(CNC(=O)N(C)C)NCCCc1scnc1C
• InChI: InChI=1S/C12H20N4O2S/c1-9-10(19-8-15-9)5-4-6-13-11(17)7-14-12(18)16(2)3/h8H,4-7H2,1-3H3,(H,13,17)(H,14,18)
• InChIKey: FIKKTWFZBRUTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethylcarbamoyl)amino]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
• IUPAC Traditional name: 2-[(dimethylcarbamoyl)amino]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
• Synonyms: N~2~-[(dimethylamino)carbonyl]-N~1~-[3-(4-methyl-1,3-thiazol-5-yl)propyl]glycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.546064
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.4181198
• LogD (pH = 7.4): -0.41778782
• Log P: -0.41778356
• Molar Refractivity: 74.3428 cm^3
• Polarizability: 28.226809 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.02
• LOG S: -2.57
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6