{[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine

• ChemBase ID: 235296
• Molecular Formular: C8H14N2OS
• Molecular Mass: 186.27456
• Monoisotopic Mass: 186.08268408
• SMILES: n1c(scc1CNC)C(OC)C
• Canonical SMILES: CNCc1csc(n1)C(OC)C
• InChI: InChI=1S/C8H14N2OS/c1-6(11-3)8-10-7(4-9-2)5-12-8/h5-6,9H,4H2,1-3H3
• InChIKey: GBSCXERTQSCIIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
• Synonyms: {[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine

Database IDs

• MDL Number: MFCD21874401
• PubChem SID: 164291206
• PubChem CID: 71755475

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.552431
• LogD (pH = 7.4): 0.17219643
• Log P: 0.78956676
• Molar Refractivity: 49.3802 cm^3
• Polarizability: 19.53883 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.039

Product Information

• Purity: 95%