Believed to have been behind the failed Times Square bombing plot of 2010, Hakimullah took over as head of the Pakistani Taliban in August 2009 after the death of former leader Baitullah Mehsud in a drone strike.
He carried an American reward of USD 5 million on his head as a Most Wanted Terrorist.
Reports of Hakimullah's killing have surfaced in the past but were later found to be false.
This time, Americans tracking Hakimullah were "nearly certain" of his location ahead of the strike, an US official said in the NYT report, adding that intelligence was collected after the strike to conclude Hakimullah was dead.
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