1-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine

• ChemBase ID: 261725
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(c(nc(s1)C)C)C(N)C
• Canonical SMILES: Cc1nc(c(s1)C(N)C)C
• InChI: InChI=1S/C7H12N2S/c1-4(8)7-5(2)9-6(3)10-7/h4H,8H2,1-3H3
• InChIKey: HIJYHZZFVMCOKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 1-(dimethyl-1,3-thiazol-5-yl)ethanamine
• Synonyms: 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD12912964
• PubChem SID: 164317635
• PubChem CID: 19805509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.329766
• LogD (pH = 7.4): -0.98120594
• Log P: 0.56125635
• Molar Refractivity: 42.9749 cm^3
• Polarizability: 16.828156 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.695

Product Information

• Purity: 95%