N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 844487
• Molecular Formular: C19H27N5S
• Molecular Mass: 357.51618
• Monoisotopic Mass: 357.19871689
• SMILES: c1(nc(cs1)CCNC1CCC2(CC1)CCNCC2)c1nccnc1
• Canonical SMILES: N1CCC2(CC1)CCC(CC2)NCCc1csc(n1)c1nccnc1
• InChI: InChI=1S/C19H27N5S/c1-4-19(6-9-20-10-7-19)5-2-15(1)22-8-3-16-14-25-18(24-16)17-13-21-11-12-23-17/h11-15,20,22H,1-10H2
• InChIKey: KXGVDZWNYUIWHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-{2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethyl}-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -4.7209334
• LogD (pH = 7.4): -3.5684996
• Log P: 1.7305403
• Molar Refractivity: 110.3755 cm^3
• Polarizability: 40.218388 Å^3
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.63
• LOG S: -3.04
• Polar Surface Area: 62.73 Å^2
• Rotatable Bonds: 5