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

• ChemBase ID: 276174
• Molecular Formular: C5H8N2S
• Molecular Mass: 128.19542
• Monoisotopic Mass: 128.04081927
• SMILES: c1(scnc1)[C@H](N)C
• Canonical SMILES: C[C@H](c1cncs1)N
• InChI: InChI=1S/C5H8N2S/c1-4(6)5-2-7-3-8-5/h2-4H,6H2,1H3/t4-/m1/s1
• InChIKey: RLPSARLYTKXVSE-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19382061
• PubChem SID: 164332084
• PubChem CID: 42151698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4401433
• LogD (pH = 7.4): -0.8791485
• Log P: 0.30682147
• Molar Refractivity: 33.9427 cm^3
• Polarizability: 13.3166685 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.253

Product Information

• Purity: 95%