({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-2-ylmethyl)(prop-2-en-1-yl)amine

• ChemBase ID: 556850
• Molecular Formular: C14H14ClN3OS
• Molecular Mass: 307.79846
• Monoisotopic Mass: 307.05461076
• SMILES: n1c2n(c(c1Cl)CN(Cc1occc1)CC=C)ccs2
• Canonical SMILES: C=CCN(Cc1c(Cl)nc2n1ccs2)Cc1ccco1
• InChI: InChI=1S/C14H14ClN3OS/c1-2-5-17(9-11-4-3-7-19-11)10-12-13(15)16-14-18(12)6-8-20-14/h2-4,6-8H,1,5,9-10H2
• InChIKey: OVOORERANGSBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-2-ylmethyl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: ({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(furan-2-ylmethyl)prop-2-en-1-ylamine
• Synonyms: N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-(2-furylmethyl)prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5430338
• LogD (pH = 7.4): 2.9849422
• Log P: 2.9948401
• Molar Refractivity: 93.9649 cm^3
• Polarizability: 30.898563 Å^3
• Polar Surface Area: 33.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.25
• LOG S: -3.21
• Polar Surface Area: 33.68 Å^2
• Rotatable Bonds: 6