(2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 306652
• Molecular Formular: C7H12N2OS
• Molecular Mass: 172.24798
• Monoisotopic Mass: 172.06703401
• SMILES: n1c(scc1)CNCCOC
• Canonical SMILES: COCCNCc1nccs1
• InChI: InChI=1S/C7H12N2OS/c1-10-4-2-8-6-7-9-3-5-11-7/h3,5,8H,2,4,6H2,1H3
• InChIKey: GFEZTROXAMFZOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(1,3-thiazol-2-ylmethyl)amine

Database IDs

• CAS Number: 886504-94-5
• MDL Number: MFCD06740634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5871531
• LogD (pH = 7.4): -0.0429211
• Log P: 0.21657836
• Molar Refractivity: 44.8849 cm^3
• Polarizability: 17.706656 Å^3
• Polar Surface Area: 34.15 Å^2