N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 836156
• Molecular Formular: C19H25N5OS
• Molecular Mass: 371.4997
• Monoisotopic Mass: 371.17798145
• SMILES: c1(sc(nc1)CN1CCCC1)C(=O)NCc1c2c(cnc1C)CNCC2
• Canonical SMILES: O=C(c1cnc(s1)CN1CCCC1)NCc1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H25N5OS/c1-13-16(15-4-5-20-8-14(15)9-21-13)10-23-19(25)17-11-22-18(26-17)12-24-6-2-3-7-24/h9,11,20H,2-8,10,12H2,1H3,(H,23,25)
• InChIKey: FSRWTUASKYOCCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(1-pyrrolidinylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.316346
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.5912008
• LogD (pH = 7.4): -1.0547651
• Log P: 0.49556327
• Molar Refractivity: 104.0411 cm^3
• Polarizability: 39.508545 Å^3
• Polar Surface Area: 70.15 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: 0.67
• LOG S: -1.18
• Polar Surface Area: 70.15 Å^2
• Rotatable Bonds: 5