1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-3-(2-methoxyphenoxy)azetidine

• ChemBase ID: 569895
• Molecular Formular: C16H15N3O3S
• Molecular Mass: 329.3736
• Monoisotopic Mass: 329.08341236
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)c1cn2c(n1)scc2
• InChI: InChI=1S/C16H15N3O3S/c1-21-13-4-2-3-5-14(13)22-11-8-19(9-11)15(20)12-10-18-6-7-23-16(18)17-12/h2-7,10-11H,8-9H2,1H3
• InChIKey: JIRGCLSOJNJDPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-3-(2-methoxyphenoxy)azetidine
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-3-(2-methoxyphenoxy)azetidine
• Synonyms: 6-{[3-(2-methoxyphenoxy)azetidin-1-yl]carbonyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8516823
• LogD (pH = 7.4): 1.8517135
• Log P: 1.851714
• Molar Refractivity: 96.7288 cm^3
• Polarizability: 32.465443 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.02
• LOG S: -3.33
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4