N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 715536
• Molecular Formular: C16H13ClFN3OS
• Molecular Mass: 349.8103232
• Monoisotopic Mass: 349.04518895
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1c(F)cccc1Cl)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1c(F)cccc1Cl)c1nc2n(c1)ccs2
• InChI: InChI=1S/C16H13ClFN3OS/c17-12-2-1-3-13(18)11(12)8-21(10-4-5-10)15(22)14-9-20-6-7-23-16(20)19-14/h1-3,6-7,9-10H,4-5,8H2
• InChIKey: KFUNZZGFYZTZKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-(2-chloro-6-fluorobenzyl)-N-cyclopropylimidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4138463
• LogD (pH = 7.4): 3.4138772
• Log P: 3.4138777
• Molar Refractivity: 98.8572 cm^3
• Polarizability: 32.702522 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.26
• LOG S: -4.54
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 4