N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 862384
• Molecular Formular: C16H17N5OS
• Molecular Mass: 327.40408
• Monoisotopic Mass: 327.11538119
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N(Cc1nc2c(s1)cccc2)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)CNCC2)Cc1nc2c(s1)cccc2
• InChI: InChI=1S/C16H17N5OS/c1-20(10-15-19-11-4-2-3-5-13(11)23-15)16(22)12-9-21-7-6-17-8-14(21)18-12/h2-5,9,17H,6-8,10H2,1H3
• InChIKey: LLVVLOIPLZVEKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.050583504
• LogD (pH = 7.4): 1.0992908
• Log P: 1.1601504
• Molar Refractivity: 88.0256 cm^3
• Polarizability: 34.796547 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.49
• LOG S: -2.01
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 3