(dimethyl-1,3-thiazol-5-yl)methanamine

• ChemBase ID: 281114
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(c(sc1C)CN)C
• Canonical SMILES: NCc1sc(nc1C)C
• InChI: InChI=1S/C6H10N2S/c1-4-6(3-7)9-5(2)8-4/h3,7H2,1-2H3
• InChIKey: ODTDYSAMTDHVSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (dimethyl-1,3-thiazol-5-yl)methanamine
• IUPAC Traditional name: (dimethyl-1,3-thiazol-5-yl)methanamine
• Synonyms: (2,4-dimethyl-1,3-thiazol-5-yl)methanamine; 1-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine

Database IDs

• CAS Number: 165736-07-2
• MDL Number: MFCD09971260
• PubChem SID: 180666645
• PubChem CID: 25219195

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6699831
• LogD (pH = 7.4): -1.1840526
• Log P: 0.14468135
• Molar Refractivity: 38.5561 cm^3
• Polarizability: 14.990736 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.386

Product Information

• Purity: 95%