5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N,N-dimethyl-1,2,4-thiadiazol-3-amine

• ChemBase ID: 658601
• Molecular Formular: C10H14N6S
• Molecular Mass: 250.32336
• Monoisotopic Mass: 250.10006548
• SMILES: n1c(N2Cc3c([nH]cn3)CC2)snc1N(C)C
• Canonical SMILES: CN(c1nsc(n1)N1CCc2c(C1)nc[nH]2)C
• InChI: InChI=1S/C10H14N6S/c1-15(2)9-13-10(17-14-9)16-4-3-7-8(5-16)12-6-11-7/h6H,3-5H2,1-2H3,(H,11,12)
• InChIKey: VBWDEGGXMJCMAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N,N-dimethyl-1,2,4-thiadiazol-3-amine
• IUPAC Traditional name: 5-{1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl}-N,N-dimethyl-1,2,4-thiadiazol-3-amine
• Synonyms: N,N-dimethyl-5-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1,2,4-thiadiazol-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.034886
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5160384
• LogD (pH = 7.4): 1.27177
• Log P: 1.3308315
• Molar Refractivity: 69.6989 cm^3
• Polarizability: 24.375202 Å^3
• Polar Surface Area: 60.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.8
• LOG S: -1.65
• Polar Surface Area: 60.94 Å^2
• Rotatable Bonds: 2