(5-methyl-1,3-thiazol-2-yl)methanamine

• ChemBase ID: 283064
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: n1c(sc(c1)C)CN
• Canonical SMILES: Cc1cnc(s1)CN
• InChI: InChI=1S/C5H8N2S/c1-4-3-7-5(2-6)8-4/h3H,2,6H2,1H3
• InChIKey: TUYMMINBICVBSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08060728
• PubChem SID: 180668595
• PubChem CID: 24274472

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8954135
• LogD (pH = 7.4): -0.20103328
• Log P: 0.4768343
• Molar Refractivity: 34.1231 cm^3
• Polarizability: 13.23909 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.063

Product Information

• Purity: 95%