2-(4-methyl-1,3-thiazol-5-yl)ethan-1-amine

• ChemBase ID: 63751
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(c(sc1)CCN)C
• Canonical SMILES: Cc1ncsc1CCN
• InChI: InChI=1S/C6H10N2S/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3
• InChIKey: TVAQJFUNSFVSGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4-methyl-1,3-thiazol-5-yl)ethanamine
• Synonyms: 2-(4-methyl-1,3-thiazol-5-yl)ethanamine; 2-(4-Methylthiazol-5-yl)ethylamine; 2-(4-methylthiazol-5-yl)ethanamine

Database IDs

• CAS Number: 58981-35-4
• MDL Number: MFCD08060722
• PubChem SID: 162029490
• PubChem CID: 205404

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6826446
• LogD (pH = 7.4): -1.7752414
• Log P: 0.31027782
• Molar Refractivity: 38.9808 cm^3
• Polarizability: 14.99254 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%