N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 769873
• Molecular Formular: C16H21N5O3S
• Molecular Mass: 363.43464
• Monoisotopic Mass: 363.13651056
• SMILES: c1(nc2n(c1)ccs2)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(c1nc2n(c1)ccs2)NC1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C16H21N5O3S/c22-14(13-11-21-7-10-25-15(21)18-13)17-12-1-3-19(4-2-12)16(23)20-5-8-24-9-6-20/h7,10-12H,1-6,8-9H2,(H,17,22)
• InChIKey: SUJZYCSICVWAQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[1-(4-morpholinylcarbonyl)-4-piperidinyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.358625
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5976083
• LogD (pH = 7.4): -0.59757644
• Log P: -0.59757596
• Molar Refractivity: 104.3824 cm^3
• Polarizability: 34.954712 Å^3
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -2.93
• Polar Surface Area: 79.18 Å^2
• Rotatable Bonds: 2