5-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl- (302963-94-6)

The N-Boc-2-amino-4-methylthiazole-5-carboxylic acid with the CAS number 302963-94-6 is also called 5-Thiazolecarboxylicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-. The IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid. Its molecular formula is C₁₀H₁₄N₂O₄S. The product category is N-BOC.

The properties of the chemical are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.74; (4)ACD/LogD (pH 7.4): -2.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 96.97 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 64.36 cm³; (15)Molar Volume: 189.9 cm³; (16)Polarizability: 25.51×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)Nc1nc(c(s1)C(=O)O)C
(2)InChI: InChI=1/C10H14N2O4S/c1-5-6(7(13)14)17-8(11-5)12-9(15)16-10(2,3)4/h1-4H3,(H,13,14)(H,11,12,15)
(3)InChIKey: FHNRXEYKJBDNKP-UHFFFAOYAJ