3-amino-N-(1,3-thiazol-2-yl)benzamide

• ChemBase ID: 123603
• Molecular Formular: C10H9N3OS
• Molecular Mass: 219.26296
• Monoisotopic Mass: 219.04663292
• SMILES: N(c1nccs1)C(=O)c1cc(N)ccc1
• Canonical SMILES: Nc1cccc(c1)C(=O)Nc1nccs1
• InChI: InChI=1S/C10H9N3OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-6H,11H2,(H,12,13,14)
• InChIKey: UERJLRHNZVBNAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(1,3-thiazol-2-yl)benzamide
• IUPAC Traditional name: 3-amino-N-(1,3-thiazol-2-yl)benzamide
• Synonyms: 3-amino-N-(thiazol-2-yl)benzamide

Database IDs

• PubChem SID: 162217956
• PubChem CID: 774474

CALCULATED PROPERTIES

• Acid pKa: 9.542199
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5782896
• LogD (pH = 7.4): 1.5762727
• Log P: 1.5792475
• Molar Refractivity: 60.9736 cm^3
• Polarizability: 21.889332 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true