4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 656141
• Molecular Formular: C16H23N5OS
• Molecular Mass: 333.45172
• Monoisotopic Mass: 333.16233138
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC2(N(CC1)C)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)CN(CCN2C)C(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C16H23N5OS/c1-18-5-3-16(4-6-18)12-21(8-7-19(16)2)14(22)13-11-20-9-10-23-15(20)17-13/h9-11H,3-8,12H2,1-2H3
• InChIKey: FAWWKOYCFDLEDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 4-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 4-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4261057
• LogD (pH = 7.4): -1.3070377
• Log P: 0.2747879
• Molar Refractivity: 103.403 cm^3
• Polarizability: 34.847683 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.78
• LOG S: -3.15
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 1