5-(4-methylphenyl)-1,3-thiazol-2-amine

• ChemBase ID: 290466
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: Nc1ncc(c2ccc(C)cc2)s1
• Canonical SMILES: Cc1ccc(cc1)c1cnc(s1)N
• InChI: InChI=1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
• InChIKey: BHSKUJCHFMAMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methylphenyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-(4-methylphenyl)-1,3-thiazol-2-amine
• Synonyms: 5-(P-tolyl)thiazol-2-amine

Database IDs

• CAS Number: 73040-54-7
• PubChem SID: 180675997
• PubChem CID: 960760

CALCULATED PROPERTIES

• Acid pKa: 17.17814
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5544195
• LogD (pH = 7.4): 2.6434267
• Log P: 2.6447155
• Molar Refractivity: 55.4016 cm^3
• Polarizability: 21.96234 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%