N-methyl-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

• ChemBase ID: 651730
• Molecular Formular: C17H21N5S2
• Molecular Mass: 359.51214
• Monoisotopic Mass: 359.1238377
• SMILES: c12c(N3CCC(N(Cc4nccs4)C)CC3)ncnc1sc(c2)C
• Canonical SMILES: CN(C1CCN(CC1)c1ncnc2c1cc(s2)C)Cc1nccs1
• InChI: InChI=1S/C17H21N5S2/c1-12-9-14-16(19-11-20-17(14)24-12)22-6-3-13(4-7-22)21(2)10-15-18-5-8-23-15/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3
• InChIKey: FHWOKTVMXCAXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: N-methyl-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
• Synonyms: N-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.0032206
• LogD (pH = 7.4): 2.6964953
• Log P: 3.124823
• Molar Refractivity: 100.4125 cm^3
• Polarizability: 38.015842 Å^3
• Polar Surface Area: 45.15 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: 3.07
• LOG S: -3.44
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 4