1-(5-methyl-1,3-thiazol-2-yl)ethan-1-amine

• ChemBase ID: 235294
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: c1(ncc(s1)C)C(N)C
• Canonical SMILES: Cc1cnc(s1)C(N)C
• InChI: InChI=1S/C6H10N2S/c1-4-3-8-6(9-4)5(2)7/h3,5H,7H2,1-2H3
• InChIKey: NMRXZMUYJYMSDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3-thiazol-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5-methyl-1,3-thiazol-2-yl)ethanamine
• Synonyms: 1-(5-methyl-1,3-thiazol-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD08060730
• PubChem SID: 164291204
• PubChem CID: 24274473

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4896392
• LogD (pH = 7.4): 0.1841611
• Log P: 1.0455985
• Molar Refractivity: 38.617 cm^3
• Polarizability: 15.075136 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.246

Product Information

• Purity: 95%