4-(1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-2-AMINE

The 2-Thiazolamine,4-(2-benzothiazolyl)-, with the CAS registry number 54469-54-4, is also known as 4-Benzothiazol-2-yl-thiazol-2-ylamine. This chemical's molecular formula is C₁₀H₇N₃S₂ and molecular weight is 233.3127. What's more, both its IUPAC name and systematic name are the same which is called 4-(1,3-Benzothiazol-2-yl)-1,3-thiazol-2-amine.

Physical properties about this chemical are: (1)ACD/LogP: 2.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.18; (6)ACD/BCF (pH 7.4): 40.78; (7)ACD/KOC (pH 5.5): 487.47; (8)ACD/KOC (pH 7.4): 494.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 85.5Ų; (13)Index of Refraction: 1.783; (14)Molar Refractivity: 65.87 cm³; (15)Molar Volume: 156.5 cm³; (16)Surface Tension: 77.8 dyne/cm; (17)Density: 1.49 g/cm³; (18)Flash Point: 233.8 °C; (19)Enthalpy of Vaporization: 72.41 kJ/mol; (20)Boiling Point: 463 °C at 760 mmHg; (21)Vapour Pressure: 9.42E-09 mmHg at 25 °C.

Preparation of 2-Thiazolamine,4-(2-benzothiazolyl)-: this chemical can be prepared by 1-Benzothiazol-2-yl-2-bromo-ethanone and Thiourea.

This reaction occurs with solvent Ethanol and other condition of heating for 2 hours. The yield is 70%.

Uses of 2-Thiazolamine,4-(2-benzothiazolyl)-: it is used to produce other chemicals. For example, it is used to produce C₁₆H₁₁N₅S₂.

The reaction occurs with reagent NaOAc and other condition of heating for 3 hours. The yield is 65%.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c3ccccc3sc1c2nc(sc2)N
(2) InChI: InChI=1/C10H7N3S2/c11-10-13-7(5-14-10)9-12-6-3-1-2-4-8(6)15-9/h1-5H,(H2,11,13)
(3) InChIKey: VGQICENTKIUASP-UHFFFAOYAN