N-methyl-5-phenyl-1,3-thiazol-2-amine

• ChemBase ID: 243447
• Molecular Formular: C10H10N2S
• Molecular Mass: 190.2648
• Monoisotopic Mass: 190.05646933
• SMILES: s1c(ncc1c1ccccc1)NC
• Canonical SMILES: CNc1ncc(s1)c1ccccc1
• InChI: InChI=1S/C10H10N2S/c1-11-10-12-7-9(13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
• InChIKey: LPNMADQKOPLFBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-phenyl-1,3-thiazol-2-amine
• IUPAC Traditional name: N-methyl-5-phenyl-1,3-thiazol-2-amine
• Synonyms: N-methyl-5-phenyl-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD17258258
• PubChem SID: 164299357
• PubChem CID: 62941800

CALCULATED PROPERTIES

• Acid pKa: 17.156944
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.425273
• LogD (pH = 7.4): 2.4329
• Log P: 2.4329982
• Molar Refractivity: 55.8538 cm^3
• Polarizability: 22.043837 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.131

Product Information

• Purity: 95%