1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(3-methylthiophen-2-yl)-1H-imidazole

• ChemBase ID: 694071
• Molecular Formular: C14H12N4S2
• Molecular Mass: 300.40188
• Monoisotopic Mass: 300.0503384
• SMILES: c1(n(Cc2nc3n(c2)ccs3)ccn1)c1c(ccs1)C
• Canonical SMILES: Cc1ccsc1c1nccn1Cc1cn2c(n1)scc2
• InChI: InChI=1S/C14H12N4S2/c1-10-2-6-19-12(10)13-15-3-4-17(13)8-11-9-18-5-7-20-14(18)16-11/h2-7,9H,8H2,1H3
• InChIKey: VKEUKFUIBZAANI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(3-methylthiophen-2-yl)-1H-imidazole
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(3-methylthiophen-2-yl)imidazole
• Synonyms: 6-{[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]methyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7543573
• LogD (pH = 7.4): 3.014926
• Log P: 3.0197415
• Molar Refractivity: 102.487 cm^3
• Polarizability: 30.840097 Å^3
• Polar Surface Area: 35.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.4
• LOG S: -4.29
• Polar Surface Area: 35.12 Å^2
• Rotatable Bonds: 3