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

• ChemBase ID: 286269
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: c1(sc(nc1)N)c1c(C)cccc1
• Canonical SMILES: Nc1ncc(s1)c1ccccc1C
• InChI: InChI=1S/C10H10N2S/c1-7-4-2-3-5-8(7)9-6-12-10(11)13-9/h2-6H,1H3,(H2,11,12)
• InChIKey: VHSALWMKCUJWIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00712272
• PubChem SID: 180671800
• PubChem CID: 46785023

CALCULATED PROPERTIES

• Acid pKa: 17.150492
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5580437
• LogD (pH = 7.4): 2.6434848
• Log P: 2.6447155
• Molar Refractivity: 55.4016 cm^3
• Polarizability: 21.963383 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 2.711

Product Information

• Purity: 95%