N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine

• ChemBase ID: 564364
• Molecular Formular: C18H23N5S2
• Molecular Mass: 373.53872
• Monoisotopic Mass: 373.13948776
• SMILES: c1(c2sccc2ncn1)N1CCC(CC1)N(CCc1c(ncs1)C)C
• Canonical SMILES: CN(C1CCN(CC1)c1ncnc2c1scc2)CCc1scnc1C
• InChI: InChI=1S/C18H23N5S2/c1-13-16(25-12-21-13)5-7-22(2)14-3-8-23(9-4-14)18-17-15(6-10-24-17)19-11-20-18/h6,10-12,14H,3-5,7-9H2,1-2H3
• InChIKey: UDSGMSSEWYLEGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• IUPAC Traditional name: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-amine
• Synonyms: N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.38339663
• LogD (pH = 7.4): 0.9957402
• Log P: 2.9766548
• Molar Refractivity: 104.9456 cm^3
• Polarizability: 40.425606 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.25
• LOG S: -3.69
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 5