[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methanamine

• ChemBase ID: 236074
• Molecular Formular: C7H12N2OS
• Molecular Mass: 172.24798
• Monoisotopic Mass: 172.06703401
• SMILES: n1c(scc1CN)C(OC)C
• Canonical SMILES: CC(c1nc(cs1)CN)OC
• InChI: InChI=1S/C7H12N2OS/c1-5(10-2)7-9-6(3-8)4-11-7/h4-5H,3,8H2,1-2H3
• InChIKey: YWIOENAJTAERNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1-methoxyethyl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(1-methoxyethyl)-1,3-thiazol-4-yl]methanamine
• Synonyms: [2-(1-methoxyethyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• MDL Number: MFCD21874400
• PubChem SID: 164291984
• PubChem CID: 66490784

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1871836
• LogD (pH = 7.4): -0.51573455
• Log P: 0.35698634
• Molar Refractivity: 44.6056 cm^3
• Polarizability: 17.704674 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.455

Product Information

• Purity: 95%