N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

• ChemBase ID: 514383
• Molecular Formular: C14H23N5OS
• Molecular Mass: 309.43032
• Monoisotopic Mass: 309.16233138
• SMILES: c12nc(sc1c(nn2C)C)N(CC(N1CCOCC1)C)C
• Canonical SMILES: CC(N1CCOCC1)CN(c1sc2c(n1)n(nc2C)C)C
• InChI: InChI=1S/C14H23N5OS/c1-10(19-5-7-20-8-6-19)9-17(3)14-15-13-12(21-14)11(2)16-18(13)4/h10H,5-9H2,1-4H3
• InChIKey: ZDTHXUJOKRGKNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
• IUPAC Traditional name: N,1,3-trimethyl-N-[2-(morpholin-4-yl)propyl]pyrazolo[3,4-d][1,3]thiazol-5-amine
• Synonyms: N,1,3-trimethyl-N-(2-morpholin-4-ylpropyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.50986457
• LogD (pH = 7.4): 1.620845
• Log P: 1.6927278
• Molar Refractivity: 96.24 cm^3
• Polarizability: 32.66284 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.24
• LOG S: -1.51
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 4