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

• ChemBase ID: 254134
• Molecular Formular: C7H8ClN3S
• Molecular Mass: 201.67652
• Monoisotopic Mass: 201.01274595
• SMILES: n1c2n(c(c1Cl)CNC)ccs2
• Canonical SMILES: CNCc1c(Cl)nc2n1ccs2
• InChI: InChI=1S/C7H8ClN3S/c1-9-4-5-6(8)10-7-11(5)2-3-12-7/h2-3,9H,4H2,1H3
• InChIKey: VOTYHCIVROFUSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine
• IUPAC Traditional name: ({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)(methyl)amine
• Synonyms: N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N-methylamine

Database IDs

• MDL Number: MFCD09802072
• PubChem SID: 164310044
• PubChem CID: 25323893

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4955338
• LogD (pH = 7.4): 0.28230396
• Log P: 1.0225
• Molar Refractivity: 62.504 cm^3
• Polarizability: 19.187256 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.066

Product Information

• Purity: 95%