methyl[2-(1,3-thiazol-2-yl)ethyl]amine

• ChemBase ID: 242884
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(scc1)CCNC
• Canonical SMILES: CNCCc1nccs1
• InChI: InChI=1S/C6H10N2S/c1-7-3-2-6-8-4-5-9-6/h4-5,7H,2-3H2,1H3
• InChIKey: VGGZQRLVVAAFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(1,3-thiazol-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(1,3-thiazol-2-yl)ethyl]amine
• Synonyms: methyl[2-(1,3-thiazol-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD16300776
• PubChem SID: 164298794
• PubChem CID: 10012009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6759515
• LogD (pH = 7.4): -1.596632
• Log P: 0.5005666
• Molar Refractivity: 38.5408 cm^3
• Polarizability: 15.073947 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.077

Product Information

• Purity: 95%