6-tert-butyl-2H,3H-imidazo[2,1-b][1,3]thiazole

• ChemBase ID: 85967
• Molecular Formular: C9H14N2S
• Molecular Mass: 182.28586
• Monoisotopic Mass: 182.08776946
• SMILES: n1c2n(cc1C(C)(C)C)CCS2
• Canonical SMILES: CC(c1cn2c(n1)SCC2)(C)C
• InChI: InChI=1S/C9H14N2S/c1-9(2,3)7-6-11-4-5-12-8(11)10-7/h6H,4-5H2,1-3H3
• InChIKey: BLJGYIZTYYIHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butyl-2H,3H-imidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 6-tert-butyl-2H,3H-imidazo[2,1-b][1,3]thiazole
• Synonyms: 6-(tert-butyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole

Database IDs

• MDL Number: MFCD00207753
• PubChem SID: 162073083
• PubChem CID: 2796969

CALCULATED PROPERTIES

• Molar Refractivity: 52.6698 cm^3
• Polarizability: 20.367636 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.800343
• LogD (pH = 7.4): 2.8893452
• Log P: 2.8906152