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

• ChemBase ID: 33424
• Molecular Formular: C8H8N4S
• Molecular Mass: 192.24092
• Monoisotopic Mass: 192.04696728
• SMILES: c1(nc(cs1)CN)c1nccnc1
• Canonical SMILES: NCc1csc(n1)c1cnccn1
• InChI: InChI=1S/C8H8N4S/c9-3-6-5-13-8(12-6)7-4-10-1-2-11-7/h1-2,4-5H,3,9H2
• InChIKey: HHHJBCALZJNSBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10686595
• PubChem SID: 160996731
• PubChem CID: 25219191

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.729836
• LogD (pH = 7.4): -1.0584476
• Log P: -0.18544535
• Molar Refractivity: 59.6334 cm^3
• Polarizability: 19.976545 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false