5-Thiazolecarboxylicacid, 4-methyl-2-(methylamino)- (110859-69-3)

 The 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid with the cas number 110859-69-3. It is also called (1) 5-Thiazolecarboxylic acid, 4-methyl-2-(methylamino)- ; (2) 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid ; (3) 4-Methyl-2-methylamino-thiazole-5-carboxylic acid.

Properties of 4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid : (1)ACD/LogP:  0.71  ; (2)# of Rule of 5 Violations:  0    ; (3)ACD/BCF (pH 5.5):  1  ; (4)ACD/BCF (pH 7.4):  1  ; (5)ACD/KOC (pH 5.5):  1  ; (6)ACD/KOC (pH 7.4):  1  ; (7)#H bond acceptors:  4  ; (8)#H bond donors:  2  ; (9)#Freely Rotating Bonds:  1  ; (10)Polar Surface Area:  70.67Ų  ; (11)Index of Refraction:  1.653  ; (12)Molar Refractivity:  44.09 cm³  ; (13)Molar Volume:  120.3 cm³  ; (14)Polarizability:  17.47 10^-24cm³  ; (15)Surface Tension:  66 dyne/cm  ; (16)Density:  1.43 g/cm³  ; (17)Flash Point:  163.5 °C  ; (18)Enthalpy of Vaporization:  62.37 kJ/mol ; (19)Boiling Point:  346.8 °C at 760 mmHg  ; (20)Vapour Pressure:  2.13E-05 mmHg at 25°C

You can still convert the following datas into molecular structure :
1. SMILES: O=C(O)c1sc(nc1C)NC
2. InChI: InChI=1/C6H8N2O2S/c1-3-4(5(9)10)11-6(7-2)8-3/h1-2H3,(H,7,8)(H,9,10)