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

• ChemBase ID: 308799
• Molecular Formular: C8H8N4S
• Molecular Mass: 192.24092
• Monoisotopic Mass: 192.04696728
• SMILES: n1c(scc1CN)c1ncccn1
• Canonical SMILES: NCc1csc(n1)c1ncccn1
• InChI: InChI=1S/C8H8N4S/c9-4-6-5-13-8(12-6)7-10-2-1-3-11-7/h1-3,5H,4,9H2
• InChIKey: MUSXSXZMNZRQOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]methanamine
• IUPAC Traditional name: [2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]methanamine
• Synonyms: 1-[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methanamine

Database IDs

• CAS Number: 1123169-55-0
• MDL Number: MFCD12198485

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9082072
• LogD (pH = 7.4): -0.1848235
• Log P: 0.66786104
• Molar Refractivity: 71.2584 cm^3
• Polarizability: 19.329226 Å^3
• Polar Surface Area: 64.69 Å^2