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In this paper, the temperature of coupling system including cylinder, head, inlet/exhaust valve, and the cooling jacket of a 400cc engine is investigated by computational fluid dynamic (CFD) method. Firstly, the total pressure loss of water jacket, radiator, and thermostat is calculated first, and then the mass flow rate inside the cooling system can be determined by fitting the water pump’s performance curve (P-Q curve). The thermal boundary conditions for analysis of conjugate heat transfer of cooling system, such as combusting gas temperature and heat transfer coefficient are utilizing the results of 1-D engine simulation software (Ricardo WAVE). The current approach is that the heat transfer coefficients of valve while opening are calculated by considering the intake and exhaust stroke using FLUENT to overcome the difficulty of these values that are not modeled in such 1-D software. Finally, the finite element method (FEM) is used for the valve stress calculation.