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

• ChemBase ID: 270723
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: c1(c(ncs1)C)CN
• Canonical SMILES: Cc1ncsc1CN
• InChI: InChI=1S/C5H8N2S/c1-4-5(2-6)8-3-7-4/h3H,2,6H2,1H3
• InChIKey: UGNFDYLWMWQMPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08060724
• PubChem SID: 164326633
• PubChem CID: 24688991

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7189362
• LogD (pH = 7.4): -1.1519237
• Log P: 0.021616621
• Molar Refractivity: 34.1154 cm^3
• Polarizability: 13.23482 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.113

Product Information

• Purity: 95%