2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethan-1-amine

• ChemBase ID: 33425
• Molecular Formular: C9H10N4S
• Molecular Mass: 206.2675
• Monoisotopic Mass: 206.06261734
• SMILES: c1(nc(cs1)CCN)c1nccnc1
• Canonical SMILES: NCCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C9H10N4S/c10-2-1-7-6-14-9(13-7)8-5-11-3-4-12-8/h3-6H,1-2,10H2
• InChIKey: FOWBCLPVGCFPKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethan-1-amine
• IUPAC Traditional name: 2-[2-(pyrazin-2-yl)-1,3-thiazol-4-yl]ethanamine
• Synonyms: 2-[2-(2-pyrazinyl)-1,3-thiazol-4-yl]ethanamine; 2-(2-Pyrazin-2-yl-1,3-thiazol-4-yl)ethanamine

Database IDs

• CAS Number: 1060817-06-2
• MDL Number: MFCD11053908
• PubChem SID: 160996732
• PubChem CID: 25219192

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9368665
• LogD (pH = 7.4): -2.0019712
• Log P: 0.05156738
• Molar Refractivity: 64.3328 cm^3
• Polarizability: 21.73387 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false