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

• ChemBase ID: 283414
• Molecular Formular: C9H16N2OS
• Molecular Mass: 200.30114
• Monoisotopic Mass: 200.09833414
• SMILES: n1c(scc1CNC)C(OCC)C
• Canonical SMILES: CNCc1csc(n1)C(OCC)C
• InChI: InChI=1S/C9H16N2OS/c1-4-12-7(2)9-11-8(5-10-3)6-13-9/h6-7,10H,4-5H2,1-3H3
• InChIKey: UINDADFKDFDUOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20317074
• PubChem SID: 180668945
• PubChem CID: 54595767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1955999
• LogD (pH = 7.4): 0.5290245
• Log P: 1.1463747
• Molar Refractivity: 54.1288 cm^3
• Polarizability: 21.374908 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.35

Product Information

• Purity: 95%