5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester

The 5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, with the CAS registry number 160844-75-7, is also known as 2-(3-Cyano-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₈H₂₀N₂O₃S and molecular weight is 344.43. Its systematic name is called ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate.

Physical properties of 5-Thiazolecarboxylicacid, 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 6; (3)ACD/LogD (pH 7.4): 6; (4)ACD/BCF (pH 5.5): 12705; (5)ACD/BCF (pH 7.4): 12706; (6)ACD/KOC (pH 5.5): 30145; (7)ACD/KOC (pH 7.4): 30146; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 92.567 cm³; (12)Molar Volume: 282.119 cm³; (13)Surface Tension: 53.922 dyne/cm; (14)Density: 1.221 g/cm³; (15)Flash Point: 254.467 °C; (16)Enthalpy of Vaporization: 76.506 kJ/mol; (17)Boiling Point: 497.149 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(OCC(C)C)ccc(c1)c2nc(c(s2)C(=O)OCC)C
(2)InChI: InChI=1/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3
(3)InChIKey: OGAZOYHQFBSRMC-UHFFFAOYAM