2-amino-N,N-dimethyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 276671
• Molecular Formular: C6H9N3OS
• Molecular Mass: 171.22016
• Monoisotopic Mass: 171.04663292
• SMILES: c1(nc(sc1)N)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1csc(n1)N)C
• InChI: InChI=1S/C6H9N3OS/c1-9(2)5(10)4-3-11-6(7)8-4/h3H,1-2H3,(H2,7,8)
• InChIKey: MZOQQOSGXMKUGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-amino-N,N-dimethyl-1,3-thiazole-4-carboxamide
• Synonyms: 2-amino-N,N-dimethyl-1,3-thiazole-4-carboxamide

Database IDs

• MDL Number: MFCD17221842
• PubChem SID: 164332581
• PubChem CID: 54594297

CALCULATED PROPERTIES

• Acid pKa: 16.196432
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.17110763
• LogD (pH = 7.4): 0.17120416
• Log P: 0.1712054
• Molar Refractivity: 43.9399 cm^3
• Polarizability: 15.868105 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.902

Product Information

• Purity: 95%