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

• ChemBase ID: 275651
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: n1c(csc1N)c1cc(ccc1)C
• Canonical SMILES: Cc1cccc(c1)c1csc(n1)N
• InChI: InChI=1S/C10H10N2S/c1-7-3-2-4-8(5-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
• InChIKey: RIUUKEZVLWNMFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02664016
• PubChem SID: 164331561
• PubChem CID: 220170

CALCULATED PROPERTIES

• Acid pKa: 16.702923
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.01839
• LogD (pH = 7.4): 3.0336614
• Log P: 3.0338597
• Molar Refractivity: 55.2455 cm^3
• Polarizability: 21.958466 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.826

Product Information

• Purity: 95%