N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 757645
• Molecular Formular: C14H22N8O2S
• Molecular Mass: 366.44188
• Monoisotopic Mass: 366.15864298
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)NCCCc1nc(sc1)N
• Canonical SMILES: O=C(Cn1nnnc1CN1CCOCC1)NCCCc1csc(n1)N
• InChI: InChI=1S/C14H22N8O2S/c15-14-17-11(10-25-14)2-1-3-16-13(23)9-22-12(18-19-20-22)8-21-4-6-24-7-5-21/h10H,1-9H2,(H2,15,17)(H,16,23)
• InChIKey: MBGRNOIFTSQHAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.76538
• H Acceptors: 8
• H Donor: 2
• LogD (pH = 5.5): -1.1880002
• LogD (pH = 7.4): -1.1118104
• Log P: -1.110773
• Molar Refractivity: 106.2092 cm^3
• Polarizability: 35.162968 Å^3
• Polar Surface Area: 124.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -1.1
• LOG S: -2.24
• Polar Surface Area: 124.08 Å^2
• Rotatable Bonds: 8