1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N-[4-(propan-2-yl)phenyl]piperidin-3-amine

• ChemBase ID: 453016
• Molecular Formular: C20H24N4OS
• Molecular Mass: 368.49576
• Monoisotopic Mass: 368.16708241
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC(Nc2ccc(cc2)C(C)C)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCCC(C1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C20H24N4OS/c1-14(2)15-5-7-16(8-6-15)21-17-4-3-9-23(12-17)19(25)18-13-24-10-11-26-20(24)22-18/h5-8,10-11,13-14,17,21H,3-4,9,12H2,1-2H3
• InChIKey: BPVUFMDOHBJSFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N-(4-isopropylphenyl)piperidin-3-amine
• Synonyms: 1-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-N-(4-isopropylphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.361657
• LogD (pH = 7.4): 3.460744
• Log P: 3.462166
• Molar Refractivity: 117.697 cm^3
• Polarizability: 39.476273 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.59
• LOG S: -6.28
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 3