2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetamide

• ChemBase ID: 124466
• Molecular Formular: C12H13N3O2S
• Molecular Mass: 263.31552
• Monoisotopic Mass: 263.07284767
• SMILES: c1(c(nc(s1)N)c1ccc(cc1)OC)CC(=O)N
• Canonical SMILES: COc1ccc(cc1)c1nc(sc1CC(=O)N)N
• InChI: InChI=1S/C12H13N3O2S/c1-17-8-4-2-7(3-5-8)11-9(6-10(13)16)18-12(14)15-11/h2-5H,6H2,1H3,(H2,13,16)(H2,14,15)
• InChIKey: LWSYEWBGQUAHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetamide
• IUPAC Traditional name: 2-[2-amino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetamide
• Synonyms: 2-(2-amino-4-(4-methoxyphenyl)thiazol-5-yl)acetamide

Database IDs

• PubChem SID: 162218819
• PubChem CID: 51044851

CALCULATED PROPERTIES

• Acid pKa: 15.607354
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3180752
• LogD (pH = 7.4): 1.3259113
• Log P: 1.3260121
• Molar Refractivity: 69.5814 cm^3
• Polarizability: 27.590055 Å^3
• Polar Surface Area: 91.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true