N-[(2-propyl-1,3-thiazol-4-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 408382
• Molecular Formular: C13H14N6OS
• Molecular Mass: 302.35486
• Monoisotopic Mass: 302.0949801
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCc1nc(sc1)CCC
• Canonical SMILES: CCCc1scc(n1)CNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C13H14N6OS/c1-2-3-12-15-10(8-21-12)7-14-13(20)9-4-5-19-11(6-9)16-17-18-19/h4-6,8H,2-3,7H2,1H3,(H,14,20)
• InChIKey: UOJUBZAFTLPVQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-propyl-1,3-thiazol-4-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(2-propyl-1,3-thiazol-4-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(2-propyl-1,3-thiazol-4-yl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.240641
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6094191
• LogD (pH = 7.4): 1.6101462
• Log P: 1.6101559
• Molar Refractivity: 91.0933 cm^3
• Polarizability: 29.116142 Å^3
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.99
• LOG S: -2.25
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 5