N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 848873
• Molecular Formular: C19H17N5OS
• Molecular Mass: 363.43618
• Monoisotopic Mass: 363.11538119
• SMILES: c1(nc2n(c1)cccn2)C(=O)N(Cc1c(ncs1)C)Cc1ccccc1
• Canonical SMILES: O=C(c1nc2n(c1)cccn2)N(Cc1scnc1C)Cc1ccccc1
• InChI: InChI=1S/C19H17N5OS/c1-14-17(26-13-21-14)12-24(10-15-6-3-2-4-7-15)18(25)16-11-23-9-5-8-20-19(23)22-16/h2-9,11,13H,10,12H2,1H3
• InChIKey: OFDQNWUIQHSGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8624368
• LogD (pH = 7.4): 1.862683
• Log P: 1.8626863
• Molar Refractivity: 102.0986 cm^3
• Polarizability: 37.663067 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.89
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 5